2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide

C12H14N4O — CID 110691373

IUPAC2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn(C)n2)cc1
InChIInChI=1S/C12H14N4O/c1-9-3-5-10(6-4-9)7-13-12(17)11-8-14-16(2)15-11/h3-6,8H,7H2,1-2H3,(H,13,17)
InChIKeyQEKZKCNYIRATMM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.05
Rot. Bonds3

About 2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide

2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 110691373) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID110691373
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn(C)n2)cc1
InChIInChI=1S/C12H14N4O/c1-9-3-5-10(6-4-9)7-13-12(17)11-8-14-16(2)15-11/h3-6,8H,7H2,1-2H3,(H,13,17)
InChIKeyQEKZKCNYIRATMM-UHFFFAOYSA-N
XLogP1.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-methyltriazole-4-carboxamide
CID 110691382
N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691406
N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide
CID 130519437
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
N-hydroxy-2-methyltriazole-4-carboxamide
CID 137244792
2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide
CID 110702169
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 121114057
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide (CID 110691373) is 2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide is Cc1ccc(CNC(=O)c2cnn(C)n2)cc1.
What is the InChIKey of 2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is QEKZKCNYIRATMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-3-5-10(6-4-9)7-13-12(17)11-8-14-16(2)15-11/h3-6,8H,7H2,1-2H3,(H,13,17).
What are the key properties of 2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 110691373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).