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

C16H13ClN4O2 — CID 15944315

IUPAC1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ncn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN4O2/c1-23-14-5-3-2-4-13(14)19-16(22)15-18-10-21(20-15)12-8-6-11(17)7-9-12/h2-10H,1H3,(H,19,22)
InChIKeyCWMSZQBDSVYYBV-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.18
Rot. Bonds4

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

1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 15944315) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID15944315
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ncn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN4O2/c1-23-14-5-3-2-4-13(14)19-16(22)15-18-10-21(20-15)12-8-6-11(17)7-9-12/h2-10H,1H3,(H,19,22)
InChIKeyCWMSZQBDSVYYBV-UHFFFAOYSA-N
XLogP3.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide (CID 15944315) is 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide is COc1ccccc1NC(=O)c1ncn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is CWMSZQBDSVYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-23-14-5-3-2-4-13(14)19-16(22)15-18-10-21(20-15)12-8-6-11(17)7-9-12/h2-10H,1H3,(H,19,22).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.18, 4 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-methoxyphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15944315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).