N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C23H20N4O2 — CID 4851331

IUPACN-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H20N4O2/c1-2-29-20-16-10-9-15-19(20)24-23(28)21-25-22(17-11-5-3-6-12-17)27(26-21)18-13-7-4-8-14-18/h3-16H,2H2,1H3,(H,24,28)
InChIKeyYPGVIXVXUBERBI-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.59
Rot. Bonds6

About N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 4851331) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID4851331
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H20N4O2/c1-2-29-20-16-10-9-15-19(20)24-23(28)21-25-22(17-11-5-3-6-12-17)27(26-21)18-13-7-4-8-14-18/h3-16H,2H2,1H3,(H,24,28)
InChIKeyYPGVIXVXUBERBI-UHFFFAOYSA-N
XLogP4.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 4851331) is N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is YPGVIXVXUBERBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-2-29-20-16-10-9-15-19(20)24-23(28)21-25-22(17-11-5-3-6-12-17)27(26-21)18-13-7-4-8-14-18/h3-16H,2H2,1H3,(H,24,28).
What are the key properties of N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 4851331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).