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

C24H22N4O2 — CID 78796020

IUPACN-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N(CCO)Cc1ccccc1
InChIInChI=1S/C24H22N4O2/c29-17-16-27(18-19-10-4-1-5-11-19)24(30)22-25-23(20-12-6-2-7-13-20)28(26-22)21-14-8-3-9-15-21/h1-15,29H,16-18H2
InChIKeyMDCDEJFDZWPTAN-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.57
Rot. Bonds7

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

N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 78796020) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID78796020
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N(CCO)Cc1ccccc1
InChIInChI=1S/C24H22N4O2/c29-17-16-27(18-19-10-4-1-5-11-19)24(30)22-25-23(20-12-6-2-7-13-20)28(26-22)21-14-8-3-9-15-21/h1-15,29H,16-18H2
InChIKeyMDCDEJFDZWPTAN-UHFFFAOYSA-N
XLogP3.57
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693071
N-benzyl-N-(2-methoxyethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 35145720
1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 1211362
N-benzyl-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 78855258
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796847
N-benzyl-N-(2-hydroxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78855200
N-benzyl-1-(3-methylphenyl)-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693124
N-benzyl-N-(2-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70706926
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 78795969
N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110020225

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 78796020) is N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is MDCDEJFDZWPTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-17-16-27(18-19-10-4-1-5-11-19)24(30)22-25-23(20-12-6-2-7-13-20)28(26-22)21-14-8-3-9-15-21/h1-15,29H,16-18H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78796020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).