5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide

C17H15FN4O — CID 58692193

IUPAC5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-c1cc(-c2nc(C(N)=O)nn2C)ccc1F
InChIInChI=1S/C17H15FN4O/c1-10-5-3-4-6-12(10)13-9-11(7-8-14(13)18)17-20-16(15(19)23)21-22(17)2/h3-9H,1-2H3,(H2,19,23)
InChIKeyZAQLBQPOOQDYLM-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.70
Rot. Bonds3

About 5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide

5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 58692193) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID58692193
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-c1cc(-c2nc(C(N)=O)nn2C)ccc1F
InChIInChI=1S/C17H15FN4O/c1-10-5-3-4-6-12(10)13-9-11(7-8-14(13)18)17-20-16(15(19)23)21-22(17)2/h3-9H,1-2H3,(H2,19,23)
InChIKeyZAQLBQPOOQDYLM-UHFFFAOYSA-N
XLogP2.70
TPSA73.80 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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide (CID 58692193) is 5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide is Cc1ccccc1-c1cc(-c2nc(C(N)=O)nn2C)ccc1F.
What is the InChIKey of 5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is ZAQLBQPOOQDYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-10-5-3-4-6-12(10)13-9-11(7-8-14(13)18)17-20-16(15(19)23)21-22(17)2/h3-9H,1-2H3,(H2,19,23).
What are the key properties of 5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide?
5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(2-methylphenyl)phenyl]-1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 58692193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).