5-pentyl-1H-1,2,4-triazole

C7H13N3 — CID 23284918

IUPAC5-pentyl-1H-1,2,4-triazole
SMILESCCCCCc1ncn[nH]1
InChIInChI=1S/C7H13N3/c1-2-3-4-5-7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyGWRDWWNGCCRDRV-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.54
Rot. Bonds4

About 5-pentyl-1H-1,2,4-triazole

5-pentyl-1H-1,2,4-triazole (PubChem CID 23284918) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-pentyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-pentyl-1H-1,2,4-triazole
PubChem CID23284918
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-pentyl-1H-1,2,4-triazole
SMILESCCCCCc1ncn[nH]1
InChIInChI=1S/C7H13N3/c1-2-3-4-5-7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyGWRDWWNGCCRDRV-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-pentyl-1H-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1H-1,2,4-triazole?
The IUPAC name of 5-pentyl-1H-1,2,4-triazole (CID 23284918) is 5-pentyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-pentyl-1H-1,2,4-triazole?
The canonical SMILES for 5-pentyl-1H-1,2,4-triazole is CCCCCc1ncn[nH]1.
What is the InChIKey of 5-pentyl-1H-1,2,4-triazole?
The InChIKey is GWRDWWNGCCRDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-3-4-5-7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10).
What are the key properties of 5-pentyl-1H-1,2,4-triazole?
5-pentyl-1H-1,2,4-triazole has a molecular weight of 139.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1H-1,2,4-triazole is sourced from PubChem (CID 23284918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).