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

C11H20N4O3 — CID 136720405

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H20N4O3/c1-6(2)7(16)11(3,4)5-12-9(17)8-13-10(18)15-14-8/h6-7,16H,5H2,1-4H3,(H,12,17)(H2,13,14,15,18)
InChIKeyUKUIEWHQAFGTIE-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.13
Rot. Bonds5

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

N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136720405) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136720405
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H20N4O3/c1-6(2)7(16)11(3,4)5-12-9(17)8-13-10(18)15-14-8/h6-7,16H,5H2,1-4H3,(H,12,17)(H2,13,14,15,18)
InChIKeyUKUIEWHQAFGTIE-UHFFFAOYSA-N
XLogP-0.13
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110008232
6-[(2-hydroxy-4,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 113237737
6-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 113715533
N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136703856
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
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136794898

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136720405) is N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is UKUIEWHQAFGTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-6(2)7(16)11(3,4)5-12-9(17)8-13-10(18)15-14-8/h6-7,16H,5H2,1-4H3,(H,12,17)(H2,13,14,15,18).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of -0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136720405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).