N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C10H18N4O3 — CID 136697108

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H18N4O3/c1-4-6(2)10(3,17)5-11-8(15)7-12-9(16)14-13-7/h6,17H,4-5H2,1-3H3,(H,11,15)(H2,12,13,14,16)
InChIKeyUWTQZUKUFDKERX-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.38
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136697108) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136697108
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H18N4O3/c1-4-6(2)10(3,17)5-11-8(15)7-12-9(16)14-13-7/h6,17H,4-5H2,1-3H3,(H,11,15)(H2,12,13,14,16)
InChIKeyUWTQZUKUFDKERX-UHFFFAOYSA-N
XLogP-0.38
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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-(2-hydroxy-2,3-dimethylpentyl)-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-[(1-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 61221501
6-[(2-ethyl-2-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 62059574
6-[(2-Hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66178218
6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 66178808
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007349
6-[(1-hydroxycyclopentyl)methyl-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 115756189
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136703853
N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136703856
N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136752827
N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136926903

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136697108) is N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CCC(C)C(C)(O)CNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is UWTQZUKUFDKERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-4-6(2)10(3,17)5-11-8(15)7-12-9(16)14-13-7/h6,17H,4-5H2,1-3H3,(H,11,15)(H2,12,13,14,16).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of -0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136697108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).