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

C13H22N4O — CID 114137118

IUPACN-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCCCC2CCCC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-2-11-15-12(17-16-11)13(18)14-9-5-8-10-6-3-4-7-10/h10H,2-9H2,1H3,(H,14,18)(H,15,16,17)
InChIKeySKULMJQLAZRBPK-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.07
Rot. Bonds6

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

N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114137118) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID114137118
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCCCC2CCCC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-2-11-15-12(17-16-11)13(18)14-9-5-8-10-6-3-4-7-10/h10H,2-9H2,1H3,(H,14,18)(H,15,16,17)
InChIKeySKULMJQLAZRBPK-UHFFFAOYSA-N
XLogP2.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 114793921
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
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106137470
4-amino-N-(3-cyclopentylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106006372
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463
5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 104982379
5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106391218
N-(3-cyclopentylpropyl)-3-ethylthiophene-2-carboxamide
CID 55996333
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 105420046
4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106006327
3,5-dibromo-N-(3-cyclopentylpropyl)benzamide
CID 106012306

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 114137118) is N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCCCC2CCCC2)n[nH]1.
What is the InChIKey of N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is SKULMJQLAZRBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-11-15-12(17-16-11)13(18)14-9-5-8-10-6-3-4-7-10/h10H,2-9H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114137118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).