5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide

C11H20N4O2 — CID 107155420

IUPAC5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC(O)CC(C)C)n[nH]1
InChIInChI=1S/C11H20N4O2/c1-4-9-13-10(15-14-9)11(17)12-6-8(16)5-7(2)3/h7-8,16H,4-6H2,1-3H3,(H,12,17)(H,13,14,15)
InChIKeyVZSUCXDNZCIJIB-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.50
Rot. Bonds6

About 5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide

5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107155420) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID107155420
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC(O)CC(C)C)n[nH]1
InChIInChI=1S/C11H20N4O2/c1-4-9-13-10(15-14-9)11(17)12-6-8(16)5-7(2)3/h7-8,16H,4-6H2,1-3H3,(H,12,17)(H,13,14,15)
InChIKeyVZSUCXDNZCIJIB-UHFFFAOYSA-N
XLogP0.50
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
CID 81063659
N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107155419
N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114101659
N-[(2S)-2-hydroxypropyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 107858442
N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 115303347
5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319568
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463
N-(3,3-difluoro-2-hydroxypropyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 114094043
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106137470
5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106391218

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide (CID 107155420) is 5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCC(O)CC(C)C)n[nH]1.
What is the InChIKey of 5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VZSUCXDNZCIJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-9-13-10(15-14-9)11(17)12-6-8(16)5-7(2)3/h7-8,16H,4-6H2,1-3H3,(H,12,17)(H,13,14,15).
What are the key properties of 5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107155420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).