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

C10H18N4O3 — CID 136794898

IUPACN-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)(C)CC(CO)NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H18N4O3/c1-10(2,3)4-6(5-15)11-8(16)7-12-9(17)14-13-7/h6,15H,4-5H2,1-3H3,(H,11,16)(H2,12,13,14,17)
InChIKeyXOFWHPRWGSVDMQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.38
Rot. Bonds4

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

N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136794898) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136794898
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)(C)CC(CO)NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H18N4O3/c1-10(2,3)4-6(5-15)11-8(16)7-12-9(17)14-13-7/h6,15H,4-5H2,1-3H3,(H,11,16)(H2,12,13,14,17)
InChIKeyXOFWHPRWGSVDMQ-UHFFFAOYSA-N
XLogP-0.38
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
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-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

6-[(1-hydroxy-4-methylpentan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61246007
6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103746149
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007915
6-[(2-hydroxy-4,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 113237737
N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136703856
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-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136752819
N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136752827

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136794898) is N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CC(C)(C)CC(CO)NC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is XOFWHPRWGSVDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(2,3)4-6(5-15)11-8(16)7-12-9(17)14-13-7/h6,15H,4-5H2,1-3H3,(H,11,16)(H2,12,13,14,17).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of -0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136794898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).