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

C8H16N4 — CID 62695673

IUPAC5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCn1ncnc1CCCCCN
InChIInChI=1S/C8H16N4/c1-12-8(10-7-11-12)5-3-2-4-6-9/h7H,2-6,9H2,1H3
InChIKeyUBLFKVRPDIUJEM-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.49
Rot. Bonds5

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

5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 62695673) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID62695673
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCn1ncnc1CCCCCN
InChIInChI=1S/C8H16N4/c1-12-8(10-7-11-12)5-3-2-4-6-9/h7H,2-6,9H2,1H3
InChIKeyUBLFKVRPDIUJEM-UHFFFAOYSA-N
XLogP0.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-methyl-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-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine (CID 62695673) is 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine is Cn1ncnc1CCCCCN.
What is the InChIKey of 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is UBLFKVRPDIUJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-12-8(10-7-11-12)5-3-2-4-6-9/h7H,2-6,9H2,1H3.
What are the key properties of 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 62695673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).