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

C11H20N4O2 — CID 106137463

IUPACN-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCCCC(C)O)n[nH]1
InChIInChI=1S/C11H20N4O2/c1-3-5-9-13-10(15-14-9)11(17)12-7-4-6-8(2)16/h8,16H,3-7H2,1-2H3,(H,12,17)(H,13,14,15)
InChIKeyLEXBHRGKDBSLOL-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.65
Rot. Bonds7

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

N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106137463) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID106137463
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCCCC(C)O)n[nH]1
InChIInChI=1S/C11H20N4O2/c1-3-5-9-13-10(15-14-9)11(17)12-7-4-6-8(2)16/h8,16H,3-7H2,1-2H3,(H,12,17)(H,13,14,15)
InChIKeyLEXBHRGKDBSLOL-UHFFFAOYSA-N
XLogP0.65
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-N-(4-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 106137462
N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107155419
N-(2-methylprop-2-enyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114618480
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
2-methyl-3-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 113415863
N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106039099
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 103010377
N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114137118
N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
ethyl 5-(3-hydroxybutyl)-1H-1,2,4-triazole-3-carboxylate
CID 79200370
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (CID 106137463) is N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)NCCCC(C)O)n[nH]1.
What is the InChIKey of N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is LEXBHRGKDBSLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-5-9-13-10(15-14-9)11(17)12-7-4-6-8(2)16/h8,16H,3-7H2,1-2H3,(H,12,17)(H,13,14,15).
What are the key properties of N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106137463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).