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

C17H15FN4O — CID 6461978

IUPAC1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1nnn(-c2ccccc2F)c1C
InChIInChI=1S/C17H15FN4O/c1-11-7-3-5-9-14(11)19-17(23)16-12(2)22(21-20-16)15-10-6-4-8-13(15)18/h3-10H,1-2H3,(H,19,23)
InChIKeyZYSHGCIQPKOOPL-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.28
Rot. Bonds3

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

1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide (PubChem CID 6461978) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
PubChem CID6461978
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1nnn(-c2ccccc2F)c1C
InChIInChI=1S/C17H15FN4O/c1-11-7-3-5-9-14(11)19-17(23)16-12(2)22(21-20-16)15-10-6-4-8-13(15)18/h3-10H,1-2H3,(H,19,23)
InChIKeyZYSHGCIQPKOOPL-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide (CID 6461978) is 1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide is Cc1ccccc1NC(=O)c1nnn(-c2ccccc2F)c1C.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
The InChIKey is ZYSHGCIQPKOOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-7-3-5-9-14(11)19-17(23)16-12(2)22(21-20-16)15-10-6-4-8-13(15)18/h3-10H,1-2H3,(H,19,23).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide?
1-(2-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-(2-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 6461978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).