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

C10H18N4O2 — CID 107319568

IUPAC5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCCCCCO)n[nH]1
InChIInChI=1S/C10H18N4O2/c1-2-8-12-9(14-13-8)10(16)11-6-4-3-5-7-15/h15H,2-7H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyLPZQFAILQNRVTA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.26
Rot. Bonds7

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

5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107319568) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID107319568
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCCCCCO)n[nH]1
InChIInChI=1S/C10H18N4O2/c1-2-8-12-9(14-13-8)10(16)11-6-4-3-5-7-15/h15H,2-7H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyLPZQFAILQNRVTA-UHFFFAOYSA-N
XLogP0.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114137118
5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319577
5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106391218
N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 115303347
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463
5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 114793921
N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114101659
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107155420
5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114095110
3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
CID 81063659

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide (CID 107319568) is 5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCCCCCO)n[nH]1.
What is the InChIKey of 5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is LPZQFAILQNRVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-2-8-12-9(14-13-8)10(16)11-6-4-3-5-7-15/h15H,2-7H2,1H3,(H,11,16)(H,12,13,14).
What are the key properties of 5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107319568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).