1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide

C17H15FN4O — CID 6464147

IUPAC1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C17H15FN4O/c1-11-5-3-4-6-15(11)19-17(23)16-12(2)22(21-20-16)14-9-7-13(18)8-10-14/h3-10H,1-2H3,(H,19,23)
InChIKeyALHFUJDWWWKVIZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide (PubChem CID 6464147) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
PubChem CID6464147
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C17H15FN4O/c1-11-5-3-4-6-15(11)19-17(23)16-12(2)22(21-20-16)14-9-7-13(18)8-10-14/h3-10H,1-2H3,(H,19,23)
InChIKeyALHFUJDWWWKVIZ-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
1-(3-fluoro-4-methylphenyl)-N-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246369
N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 7184924
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 166156582
1-(4-fluorophenyl)-5-methyl-N-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 27245858
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide (CID 6464147) is 1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide is Cc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The InChIKey is ALHFUJDWWWKVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-5-3-4-6-15(11)19-17(23)16-12(2)22(21-20-16)14-9-7-13(18)8-10-14/h3-10H,1-2H3,(H,19,23).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 6464147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).