1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide

C19H16FN7O — CID 16649418

IUPAC1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide
SMILESCc1cnnn1-c1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1
InChIInChI=1S/C19H16FN7O/c1-12-11-21-24-26(12)15-9-7-14(8-10-15)22-19(28)18-13(2)27(25-23-18)17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,22,28)
InChIKeyIOUHQTVWHJLPIX-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide

1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide (PubChem CID 16649418) has the molecular formula C19H16FN7O and a molecular weight of 377.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide
PubChem CID16649418
Molecular FormulaC19H16FN7O
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide
SMILESCc1cnnn1-c1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1
InChIInChI=1S/C19H16FN7O/c1-12-11-21-24-26(12)15-9-7-14(8-10-15)22-19(28)18-13(2)27(25-23-18)17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,22,28)
InChIKeyIOUHQTVWHJLPIX-UHFFFAOYSA-N
XLogP2.86
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide (CID 16649418) is 1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide is Cc1cnnn1-c1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide?
The InChIKey is IOUHQTVWHJLPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O/c1-12-11-21-24-26(12)15-9-7-14(8-10-15)22-19(28)18-13(2)27(25-23-18)17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,22,28).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 16649418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).