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

C17H15ClN4O3 — CID 15944311

IUPAC1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C17H15ClN4O3/c1-24-13-7-8-15(25-2)14(9-13)20-17(23)16-19-10-22(21-16)12-5-3-11(18)4-6-12/h3-10H,1-2H3,(H,20,23)
InChIKeySBHHBEGDIFPZHH-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.19
Rot. Bonds5

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

1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 15944311) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID15944311
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C17H15ClN4O3/c1-24-13-7-8-15(25-2)14(9-13)20-17(23)16-19-10-22(21-16)12-5-3-11(18)4-6-12/h3-10H,1-2H3,(H,20,23)
InChIKeySBHHBEGDIFPZHH-UHFFFAOYSA-N
XLogP3.19
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.19
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)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide (CID 15944311) is 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide is COc1ccc(OC)c(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is SBHHBEGDIFPZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-24-13-7-8-15(25-2)14(9-13)20-17(23)16-19-10-22(21-16)12-5-3-11(18)4-6-12/h3-10H,1-2H3,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.19, 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)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15944311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).