1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide

C18H17ClN4O2 — CID 78876140

IUPAC1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOCc1ccccc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN4O2/c1-12-20-17(22-23(12)15-9-7-14(19)8-10-15)18(24)21-16-6-4-3-5-13(16)11-25-2/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyWKCSXAYAYYQEEY-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 78876140) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID78876140
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOCc1ccccc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN4O2/c1-12-20-17(22-23(12)15-9-7-14(19)8-10-15)18(24)21-16-6-4-3-5-13(16)11-25-2/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyWKCSXAYAYYQEEY-UHFFFAOYSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
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CID 99817254
N-(3-acetamido-2-methylphenyl)-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 86922095
1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
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1-(4-chlorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 24539442
1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78887347
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 31859234
1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745548
1-(4-chlorophenyl)-5-methyl-N-prop-2-ynyl-1,2,4-triazole-3-carboxamide
CID 24542740
1-(4-chlorophenyl)-5-methyl-N-(4-phenoxybutyl)-1,2,4-triazole-3-carboxamide
CID 24552430
1-(4-chlorophenyl)-N-(2-hydroxypropyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78856116
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide (CID 78876140) is 1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide is COCc1ccccc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is WKCSXAYAYYQEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-20-17(22-23(12)15-9-7-14(19)8-10-15)18(24)21-16-6-4-3-5-13(16)11-25-2/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78876140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).