N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C11H20N4O3 — CID 136745091

IUPACN-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCC(CC)(CCO)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H20N4O3/c1-3-11(4-2,5-6-16)7-12-9(17)8-13-10(18)15-14-8/h16H,3-7H2,1-2H3,(H,12,17)(H2,13,14,15,18)
InChIKeyTXOQXFAOWIXGSG-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.02
Rot. Bonds7

About N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136745091) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136745091
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC NameN-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCC(CC)(CCO)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H20N4O3/c1-3-11(4-2,5-6-16)7-12-9(17)8-13-10(18)15-14-8/h16H,3-7H2,1-2H3,(H,12,17)(H2,13,14,15,18)
InChIKeyTXOQXFAOWIXGSG-UHFFFAOYSA-N
XLogP0.02
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-[(2-ethyl-4-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 80296871
6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103705310
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103844412
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103895961
N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007716
6-[[1-(2-Hydroxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 113626271
6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 114749618
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-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136752819
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-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136745091) is N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CCC(CC)(CCO)CNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is TXOQXFAOWIXGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-3-11(4-2,5-6-16)7-12-9(17)8-13-10(18)15-14-8/h16H,3-7H2,1-2H3,(H,12,17)(H2,13,14,15,18).
What are the key properties of N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136745091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).