N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

C16H13ClN4O2 — CID 15990132

IUPACN-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C16H13ClN4O2/c1-23-14-8-7-11(17)9-13(14)19-16(22)15-18-10-21(20-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,22)
InChIKeyBXKSEAZXZGZGJK-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.18
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 15990132) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID15990132
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C16H13ClN4O2/c1-23-14-8-7-11(17)9-13(14)19-16(22)15-18-10-21(20-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,22)
InChIKeyBXKSEAZXZGZGJK-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 N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 15990132) is N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is BXKSEAZXZGZGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-23-14-8-7-11(17)9-13(14)19-16(22)15-18-10-21(20-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-phenyl-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 N-(5-chloro-2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15990132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).