N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide

C10H10N4O — CID 139472699

IUPACN-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O/c1-11-10(15)9-12-7-14(13-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,15)
InChIKeyIPYFIXGXHVKJTQ-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.63
Rot. Bonds2

About N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide

N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 139472699) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID139472699
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O/c1-11-10(15)9-12-7-14(13-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,15)
InChIKeyIPYFIXGXHVKJTQ-UHFFFAOYSA-N
XLogP0.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2984874
3-methyl-4-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 120536966
N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 97252405
N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944274
N-(3-ethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944264
1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 2991256
cis-(1R,3S)-3-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677931
1-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538696
N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166217474
N-methyl-2-phenyltetrazole-5-carboxamide
CID 71791263
N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75455855

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (CID 139472699) is N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is CNC(=O)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is IPYFIXGXHVKJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-11-10(15)9-12-7-14(13-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,15).
What are the key properties of N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 202.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 139472699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).