1-pentyl-1,2,4-triazole-3-carboxamide

C8H14N4O — CID 70609428

IUPAC1-pentyl-1,2,4-triazole-3-carboxamide
SMILESCCCCCn1cnc(C(N)=O)n1
InChIInChI=1S/C8H14N4O/c1-2-3-4-5-12-6-10-8(11-12)7(9)13/h6H,2-5H2,1H3,(H2,9,13)
InChIKeySIIPLBUSHYSOMQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.57
Rot. Bonds5

About 1-pentyl-1,2,4-triazole-3-carboxamide

1-pentyl-1,2,4-triazole-3-carboxamide (PubChem CID 70609428) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-pentyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-pentyl-1,2,4-triazole-3-carboxamide
PubChem CID70609428
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-pentyl-1,2,4-triazole-3-carboxamide
SMILESCCCCCn1cnc(C(N)=O)n1
InChIInChI=1S/C8H14N4O/c1-2-3-4-5-12-6-10-8(11-12)7(9)13/h6H,2-5H2,1H3,(H2,9,13)
InChIKeySIIPLBUSHYSOMQ-UHFFFAOYSA-N
XLogP0.57
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-pentyl-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

2-(3-cyano-1H-1,2,4-triazol-1-yl)acetamide
CID 47003260
5-(aminomethyl)-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 22716009
N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide
CID 155561111
N-[(1S,2S)-2-fluorocyclohexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 164634953
1-[[3-(Trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide
CID 142742590
1-[(3,3-Difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
CID 145225341
1-[(2,2-Difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide
CID 150815057
1-[(3,3-Difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide
CID 159487913
1-(3,3,3-Trifluoropropyl)-1,2,4-triazole-3-carboxamide
CID 159716903
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-(1,1-Difluoropropan-2-yl)-1,2,4-triazole-3-carboxamide
CID 175864486
2-(3-Fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864546

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-pentyl-1,2,4-triazole-3-carboxamide (CID 70609428) is 1-pentyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-pentyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-pentyl-1,2,4-triazole-3-carboxamide is CCCCCn1cnc(C(N)=O)n1.
What is the InChIKey of 1-pentyl-1,2,4-triazole-3-carboxamide?
The InChIKey is SIIPLBUSHYSOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-3-4-5-12-6-10-8(11-12)7(9)13/h6H,2-5H2,1H3,(H2,9,13).
What are the key properties of 1-pentyl-1,2,4-triazole-3-carboxamide?
1-pentyl-1,2,4-triazole-3-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 70609428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).