1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide

C17H15FN4O2 — CID 7223511

IUPAC1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C17H15FN4O2/c1-11-16(17(23)19-14-5-3-4-6-15(14)24-2)20-21-22(11)13-9-7-12(18)8-10-13/h3-10H,1-2H3,(H,19,23)
InChIKeyQCHYNJMIPWPWGR-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide

1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 7223511) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID7223511
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C17H15FN4O2/c1-11-16(17(23)19-14-5-3-4-6-15(14)24-2)20-21-22(11)13-9-7-12(18)8-10-13/h3-10H,1-2H3,(H,19,23)
InChIKeyQCHYNJMIPWPWGR-UHFFFAOYSA-N
XLogP2.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-{[(2-methoxyphenyl)carbamoyl]methyl}-N-phenyl-1H-1,2,3-triazole-4-carboxamide
CID 3243247
5-amino-N-(2-fluorophenyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 1510081
1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyltriazole-4-carboxamide
CID 11547151
1-benzyl-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11576528
1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
CID 11720119
N-(2,6-dimethylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649224
N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649239
5-amino-1-(2-anilino-2-oxoethyl)-N-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 3241324
1-(2-Methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
CID 6494329
(1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 171352643
1-(3-chloro-4-fluorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16017179
1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 7246370

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 7223511) is 1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide is COc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is QCHYNJMIPWPWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-11-16(17(23)19-14-5-3-4-6-15(14)24-2)20-21-22(11)13-9-7-12(18)8-10-13/h3-10H,1-2H3,(H,19,23).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 7223511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).