1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide

C13H16N6O2 — CID 129416200

IUPAC1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)nn1
InChIInChI=1S/C13H16N6O2/c1-18-7-11(15-17-18)13(21)14-9-3-4-10-8(5-9)6-12(20)19(2)16-10/h6-7,9H,3-5H2,1-2H3,(H,14,21)/t9-/m0/s1
InChIKeyAFOILAQXJCYURK-VIFPVBQESA-N
MW288.31 g/mol
LogP-0.80
Rot. Bonds2

About 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide

1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide (PubChem CID 129416200) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide
PubChem CID129416200
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)nn1
InChIInChI=1S/C13H16N6O2/c1-18-7-11(15-17-18)13(21)14-9-3-4-10-8(5-9)6-12(20)19(2)16-10/h6-7,9H,3-5H2,1-2H3,(H,14,21)/t9-/m0/s1
InChIKeyAFOILAQXJCYURK-VIFPVBQESA-N
XLogP-0.80
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide with MolForge

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Related Compounds

4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
CID 124873744
2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
CID 163924526
4-iodo-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)benzamide
CID 166979406
2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide
CID 100751706
5-chloro-2-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
CID 100752090
2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
CID 100752073
2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide
CID 91632677
N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide
CID 100751893
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide
CID 95985223
6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 121199716
N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide
CID 163446789
2-methyl-6-phenacyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 163656635

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide (CID 129416200) is 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide is Cn1cc(C(=O)N[C@H]2CCc3nn(C)c(=O)cc3C2)nn1.
What is the InChIKey of 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide?
The InChIKey is AFOILAQXJCYURK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N6O2/c1-18-7-11(15-17-18)13(21)14-9-3-4-10-8(5-9)6-12(20)19(2)16-10/h6-7,9H,3-5H2,1-2H3,(H,14,21)/t9-/m0/s1.
What are the key properties of 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide?
1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of -0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide is sourced from PubChem (CID 129416200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).