2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H17N7O2 — CID 157017697

IUPAC2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCn1nc2ccc(NC(=O)C3CCc4nn(C)c(=O)n4C3)cc2n1
InChIInChI=1S/C15H17N7O2/c1-20-15(24)22-8-9(3-6-13(22)19-20)14(23)16-10-4-5-11-12(7-10)18-21(2)17-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,23)
InChIKeyIYRPKPXRLNFLAM-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.06
Rot. Bonds2

About 2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 157017697) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID157017697
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCn1nc2ccc(NC(=O)C3CCc4nn(C)c(=O)n4C3)cc2n1
InChIInChI=1S/C15H17N7O2/c1-20-15(24)22-8-9(3-6-13(22)19-20)14(23)16-10-4-5-11-12(7-10)18-21(2)17-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,23)
InChIKeyIYRPKPXRLNFLAM-UHFFFAOYSA-N
XLogP0.06
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
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(6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136833032
N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide
CID 23848322
N-(1-methyl-3-propan-2-yloxyindazol-5-yl)cyclopropanecarboxamide
CID 100830641
N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide
CID 163367302
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
(6S)-N-(4-acetylphenyl)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnoline-6-carboxamide
CID 129418294
(6S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97070923
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 157017697) is 2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cn1nc2ccc(NC(=O)C3CCc4nn(C)c(=O)n4C3)cc2n1.
What is the InChIKey of 2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is IYRPKPXRLNFLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-20-15(24)22-8-9(3-6-13(22)19-20)14(23)16-10-4-5-11-12(7-10)18-21(2)17-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,23).
What are the key properties of 2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylbenzotriazol-5-yl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 157017697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).