1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide

C12H15N7O2 — CID 140764896

IUPAC1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1cc2n(n1)CC[C@H](n1cnc(C(N)=O)n1)C(=O)N2C
InChIInChI=1S/C12H15N7O2/c1-7-5-9-17(2)12(21)8(3-4-18(9)15-7)19-6-14-11(16-19)10(13)20/h5-6,8H,3-4H2,1-2H3,(H2,13,20)/t8-/m0/s1
InChIKeyUTGPKFMEPJKFQR-QMMMGPOBSA-N
MW289.30 g/mol
LogP-0.51
Rot. Bonds2

About 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide

1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 140764896) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide
PubChem CID140764896
Molecular FormulaC12H15N7O2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1cc2n(n1)CC[C@H](n1cnc(C(N)=O)n1)C(=O)N2C
InChIInChI=1S/C12H15N7O2/c1-7-5-9-17(2)12(21)8(3-4-18(9)15-7)19-6-14-11(16-19)10(13)20/h5-6,8H,3-4H2,1-2H3,(H2,13,20)/t8-/m0/s1
InChIKeyUTGPKFMEPJKFQR-QMMMGPOBSA-N
XLogP-0.51
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide
CID 140764731
N-[(6R)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-5-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 149193231
1-(2,3-dihydropyridin-2-ylmethyl)-N-[(2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl)methylidene]-1,2,4-triazole-3-carboxamide
CID 145225174
N-(2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl)-5-phenylisoquinoline-3-carboxamide
CID 140764917
(7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide
CID 163539538
(6S)-6-[4-[(7S)-7-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-4-oxobutyl]-2,4-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 135136051
1-[(2-cyanophenyl)methyl]-1,2,4-triazole-3-carboxamide;2-cyclopropyl-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 145225698
(6R)-6-amino-2-[(1S)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;(6S)-6-amino-2-[(1S)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;(6R)-6-amino-2-[(1R)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;(6S)-6-amino-2-[(1R)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 158980257
N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928867
3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 86770898
(6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 145225417
1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea
CID 124570182

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide (CID 140764896) is 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide is Cc1cc2n(n1)CC[C@H](n1cnc(C(N)=O)n1)C(=O)N2C.
What is the InChIKey of 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is UTGPKFMEPJKFQR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N7O2/c1-7-5-9-17(2)12(21)8(3-4-18(9)15-7)19-6-14-11(16-19)10(13)20/h5-6,8H,3-4H2,1-2H3,(H2,13,20)/t8-/m0/s1.
What are the key properties of 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide?
1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 289.30 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 140764896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).