6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one

C15H16N6O — CID 138023137

IUPAC6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(CNc2c3c(nc4ncnn24)CCC3)cc(=O)[nH]1
InChIInChI=1S/C15H16N6O/c1-9-5-10(6-13(22)19-9)7-16-14-11-3-2-4-12(11)20-15-17-8-18-21(14)15/h5-6,8,16H,2-4,7H2,1H3,(H,19,22)
InChIKeyKOHXEBPJSUKZJV-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.22
Rot. Bonds3

About 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one

6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one (PubChem CID 138023137) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one
PubChem CID138023137
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(CNc2c3c(nc4ncnn24)CCC3)cc(=O)[nH]1
InChIInChI=1S/C15H16N6O/c1-9-5-10(6-13(22)19-9)7-16-14-11-3-2-4-12(11)20-15-17-8-18-21(14)15/h5-6,8,16H,2-4,7H2,1H3,(H,19,22)
InChIKeyKOHXEBPJSUKZJV-UHFFFAOYSA-N
XLogP1.22
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 22579266
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50800751
N-(3,5-dimethoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 44753836
(2S)-1-N,1-N-dimethyl-2-N-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)propane-1,2-diamine
CID 92756858
N-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 645556
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453332
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50801517
4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
CID 138023130
11-(furan-2-yl)-N-[(4-methylphenyl)methyl]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800649
6-methyl-N-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 3231386
N-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800736
2-methyl-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50800618

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one (CID 138023137) is 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one is Cc1cc(CNc2c3c(nc4ncnn24)CCC3)cc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one?
The InChIKey is KOHXEBPJSUKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-9-5-10(6-13(22)19-9)7-16-14-11-3-2-4-12(11)20-15-17-8-18-21(14)15/h5-6,8,16H,2-4,7H2,1H3,(H,19,22).
What are the key properties of 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one?
6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one has a molecular weight of 296.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 138023137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).