N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide

C11H10F2N4O — CID 103587049

IUPACN-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2cc(F)c(C)cc2F)n[nH]1
InChIInChI=1S/C11H10F2N4O/c1-5-3-8(13)9(4-7(5)12)15-11(18)10-14-6(2)16-17-10/h3-4H,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyAVIUVQFHCNNYIZ-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.95
Rot. Bonds2

About N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide

N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 103587049) has the molecular formula C11H10F2N4O and a molecular weight of 252.22 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID103587049
Molecular FormulaC11H10F2N4O
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2cc(F)c(C)cc2F)n[nH]1
InChIInChI=1S/C11H10F2N4O/c1-5-3-8(13)9(4-7(5)12)15-11(18)10-14-6(2)16-17-10/h3-4H,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyAVIUVQFHCNNYIZ-UHFFFAOYSA-N
XLogP1.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107530898
N-(4-chloro-2-iodophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107629560
N-(2-bromo-5-chloro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 104725016
N-(2,5-difluoro-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107704386
5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 103587004
N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107593512
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 81311222
4-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]benzoic acid
CID 115411101
2-amino-6-chloro-N-(2,5-difluoro-4-methylphenyl)pyridine-4-carboxamide
CID 103587247
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232
N-(2,5-difluoro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 103586314
2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 103587266

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CID 103587049) is N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2cc(F)c(C)cc2F)n[nH]1.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is AVIUVQFHCNNYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O/c1-5-3-8(13)9(4-7(5)12)15-11(18)10-14-6(2)16-17-10/h3-4H,1-2H3,(H,15,18)(H,14,16,17).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 252.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 103587049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).