1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide

C18H17ClN4O3 — CID 15944286

IUPAC1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H17ClN4O3/c1-11-20-17(22-23(11)13-6-4-12(19)5-7-13)18(24)21-15-10-14(25-2)8-9-16(15)26-3/h4-10H,1-3H3,(H,21,24)
InChIKeyQGNFONZLWUTMCS-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.50
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 15944286) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID15944286
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H17ClN4O3/c1-11-20-17(22-23(11)13-6-4-12(19)5-7-13)18(24)21-15-10-14(25-2)8-9-16(15)26-3/h4-10H,1-3H3,(H,21,24)
InChIKeyQGNFONZLWUTMCS-UHFFFAOYSA-N
XLogP3.50
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 15944286) is 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide is COc1ccc(OC)c(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is QGNFONZLWUTMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-11-20-17(22-23(11)13-6-4-12(19)5-7-13)18(24)21-15-10-14(25-2)8-9-16(15)26-3/h4-10H,1-3H3,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15944286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).