1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide

C14H12N6O — CID 75508833

IUPAC1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide
SMILESCc1cccc(-n2cc(C(=O)Nc3cnccn3)nn2)c1
InChIInChI=1S/C14H12N6O/c1-10-3-2-4-11(7-10)20-9-12(18-19-20)14(21)17-13-8-15-5-6-16-13/h2-9H,1H3,(H,16,17,21)
InChIKeyNDWQEJFLIDHJKX-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.62
Rot. Bonds3

About 1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide

1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide (PubChem CID 75508833) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide
PubChem CID75508833
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide
SMILESCc1cccc(-n2cc(C(=O)Nc3cnccn3)nn2)c1
InChIInChI=1S/C14H12N6O/c1-10-3-2-4-11(7-10)20-9-12(18-19-20)14(21)17-13-8-15-5-6-16-13/h2-9H,1H3,(H,16,17,21)
InChIKeyNDWQEJFLIDHJKX-UHFFFAOYSA-N
XLogP1.62
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]triazole-4-carboxamide
CID 71880566
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119506900
N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 167983807
N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 120831934
1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119387980
cis-(1S,3R)-3-[[1-(3-methylphenyl)triazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674914
1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide
CID 47045295
N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154801343
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111458491
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38951839
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111565581
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 111561076

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide (CID 75508833) is 1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide is Cc1cccc(-n2cc(C(=O)Nc3cnccn3)nn2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide?
The InChIKey is NDWQEJFLIDHJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-10-3-2-4-11(7-10)20-9-12(18-19-20)14(21)17-13-8-15-5-6-16-13/h2-9H,1H3,(H,16,17,21).
What are the key properties of 1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide?
1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 75508833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).