N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C10H18N4O3 — CID 136703856

IUPACN-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H18N4O3/c1-3-6(4-2)7(15)5-11-9(16)8-12-10(17)14-13-8/h6-7,15H,3-5H2,1-2H3,(H,11,16)(H2,12,13,14,17)
InChIKeyYACZXSHNMQYYBE-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.38
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136703856) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136703856
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H18N4O3/c1-3-6(4-2)7(15)5-11-9(16)8-12-10(17)14-13-8/h6-7,15H,3-5H2,1-2H3,(H,11,16)(H2,12,13,14,17)
InChIKeyYACZXSHNMQYYBE-UHFFFAOYSA-N
XLogP-0.38
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(3-ethyl-2-hydroxypentyl)-5-oxo-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

6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63239466
N-(2-hydroxy-3-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940320
N-(3-ethyl-2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940573
N-(2-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940576
6-[(2-hydroxy-4,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 113237737
6-(2-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione
CID 115622853
6-[(2-hydroxy-3-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 115644049
N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136697108
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136720405
N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136745091
N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136752827
3-[[(2-Cyclopropyl-2-hydroxyethyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768253

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136703856) is N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CCC(CC)C(O)CNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is YACZXSHNMQYYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-6(4-2)7(15)5-11-9(16)8-12-10(17)14-13-8/h6-7,15H,3-5H2,1-2H3,(H,11,16)(H2,12,13,14,17).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of -0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136703856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).