N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

C16H13FN4O — CID 24825055

IUPACN-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H13FN4O/c1-11-2-8-14(9-3-11)21-10-18-15(20-21)16(22)19-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,19,22)
InChIKeyIQHUAEDKQJBJBC-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.97
Rot. Bonds3

About N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 24825055) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID24825055
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H13FN4O/c1-11-2-8-14(9-3-11)21-10-18-15(20-21)16(22)19-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,19,22)
InChIKeyIQHUAEDKQJBJBC-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 24825055) is N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2cnc(C(=O)Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is IQHUAEDKQJBJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-11-2-8-14(9-3-11)21-10-18-15(20-21)16(22)19-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24825055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).