Ethyl 1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxylate

Formula:C12H17N3O3 CAS:1000018-23-4

PropertyValue
Casrn1000018-23-4
MolNameEthyl 1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxylate
MolecularFormulaC12H17N3O3
SmilesCCOC(C(CC1)CCN1C(C=NN1)=CC1=O)=O
InChIInChI=1S/C12H17N3O3/c1-2-18-12(17)9-3-5-15(6-4-9)10-7-11(16)14-13-8-10/h7-9H,2-6H2,1H3,(H,14,16)
InChIKLKAKDRBQUGHAAE-UHFFFAOYSA-N
CanonicalSyTyLFyf726bcf7bed755bd
TotalMolweight251.285
Molweight251.285
MonoisotopicMass251.126992
CLogP0.337
CLogS-1.741
H Acceptors6
H Donors1
TotalSurfaceArea196.79
Relative PSA0.31811
PolarSurfaceArea71
Druglikeness2.8124
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Molecula Flexibility0.51734
Molecular Complexity0.6593
Fragments1
Non HAtoms18
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures2
Small Rings2
Sp3Atoms8
Symmetricatoms2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-73-2highnonenoneC6H8O2112.128-6.3422
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
100022-13-7nonenonenoneHCl.C20H21NO4339.392.3133
100-53-8nonehighhighC7H8S124.207-6.3177
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100-70-9nonenonenoneC6H4N2104.112-6.0498
100-41-4highhighhighC8H10106.167-2.68
100-20-9highnonelowC8H4O2Cl2203.024-10.706
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100033-28-1lownonehighC6H9N7179.186-2.3035
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100-97-0highhighhighC6H12N4140.1891.5849
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
10-13-2009nonenonenoneC15H14O5274.271-1.4702
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
1000339-31-0nonenonehighC12H16NCl209.7190.65299
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
100-66-3highnonehighC7H8O108.14-2.0846
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100-09-4nonenonenoneC8H8O3152.149-1.597
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
1000284-35-4nonenonehighC16H24O4280.363-11.936
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100-28-7highlowlowC7H4N2O3164.12-21.552
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
1000-63-1nonenonehighC8H18O130.23-19.78
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
1000-78-8highlownoneC11H24N2184.326-10.254
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-46-9nonenonenoneC7H9N107.155-2.0712
100016-58-8nonehighnoneC19H19NO5341.3621.8385
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-44-7highhighnoneC7H7Cl126.586-2.365
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
100-26-5nonenonenoneC7H5NO4167.12-1.5746
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
10001-30-6nonenonenoneC17H14O4282.294-0.8408
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
1000-57-3highnonelowC6H16SSn238.969-7.4261
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000-41-5nonenonelowC10H18O154.252-9.05
100-22-1highhighnoneC10H16N2164.2510.40939