5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine

C9H18N4 — CID 62696839

IUPAC5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCn1ncnc1CCCCCN
InChIInChI=1S/C9H18N4/c1-2-13-9(11-8-12-13)6-4-3-5-7-10/h8H,2-7,10H2,1H3
InChIKeyWUZWPFZREJEATR-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.97
Rot. Bonds6

About 5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine

5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 62696839) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID62696839
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCn1ncnc1CCCCCN
InChIInChI=1S/C9H18N4/c1-2-13-9(11-8-12-13)6-4-3-5-7-10/h8H,2-7,10H2,1H3
InChIKeyWUZWPFZREJEATR-UHFFFAOYSA-N
XLogP0.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine 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-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine (CID 62696839) is 5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine is CCn1ncnc1CCCCCN.
What is the InChIKey of 5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is WUZWPFZREJEATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-2-13-9(11-8-12-13)6-4-3-5-7-10/h8H,2-7,10H2,1H3.
What are the key properties of 5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine?
5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 62696839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).