N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide

C13H16N4O3 — CID 136703892

IUPACN-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(c1n[nH]c(=O)[nH]1)N(CCO)CCc1ccccc1
InChIInChI=1S/C13H16N4O3/c18-9-8-17(7-6-10-4-2-1-3-5-10)12(19)11-14-13(20)16-15-11/h1-5,18H,6-9H2,(H2,14,15,16,20)
InChIKeyFDFNSCHOLCQIOM-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.22
Rot. Bonds6

About N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136703892) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136703892
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(c1n[nH]c(=O)[nH]1)N(CCO)CCc1ccccc1
InChIInChI=1S/C13H16N4O3/c18-9-8-17(7-6-10-4-2-1-3-5-10)12(19)11-14-13(20)16-15-11/h1-5,18H,6-9H2,(H2,14,15,16,20)
InChIKeyFDFNSCHOLCQIOM-UHFFFAOYSA-N
XLogP-0.22
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide
CID 111122221
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
N-(2-hydroxyethyl)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 111122126
N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 111122028
N-(2-hydroxyethyl)-N-(2-phenylethyl)thiophene-3-carboxamide
CID 111122178
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
N-(2-hydroxyethyl)-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 111122151
5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122037
2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122067
2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122136
1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea
CID 111121985
N-(2-hydroxyethyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 75390476

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136703892) is N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(c1n[nH]c(=O)[nH]1)N(CCO)CCc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is FDFNSCHOLCQIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-9-8-17(7-6-10-4-2-1-3-5-10)12(19)11-14-13(20)16-15-11/h1-5,18H,6-9H2,(H2,14,15,16,20).
What are the key properties of N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136703892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).