3,5-diheptyl-1,2,4-triazol-4-amine

C16H32N4 — CID 2769373

IUPAC3,5-diheptyl-1,2,4-triazol-4-amine
SMILESCCCCCCCc1nnc(CCCCCCC)n1N
InChIInChI=1S/C16H32N4/c1-3-5-7-9-11-13-15-18-19-16(20(15)17)14-12-10-8-6-4-2/h3-14,17H2,1-2H3
InChIKeyHTAVZCVYBKYBBM-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.02
Rot. Bonds12

About 3,5-diheptyl-1,2,4-triazol-4-amine

3,5-diheptyl-1,2,4-triazol-4-amine (PubChem CID 2769373) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3,5-diheptyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-diheptyl-1,2,4-triazol-4-amine
PubChem CID2769373
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name3,5-diheptyl-1,2,4-triazol-4-amine
SMILESCCCCCCCc1nnc(CCCCCCC)n1N
InChIInChI=1S/C16H32N4/c1-3-5-7-9-11-13-15-18-19-16(20(15)17)14-12-10-8-6-4-2/h3-14,17H2,1-2H3
InChIKeyHTAVZCVYBKYBBM-UHFFFAOYSA-N
XLogP4.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diheptyl-1,2,4-triazol-4-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 3,5-diheptyl-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-diheptyl-1,2,4-triazol-4-amine (CID 2769373) is 3,5-diheptyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-diheptyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-diheptyl-1,2,4-triazol-4-amine is CCCCCCCc1nnc(CCCCCCC)n1N.
What is the InChIKey of 3,5-diheptyl-1,2,4-triazol-4-amine?
The InChIKey is HTAVZCVYBKYBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-3-5-7-9-11-13-15-18-19-16(20(15)17)14-12-10-8-6-4-2/h3-14,17H2,1-2H3.
What are the key properties of 3,5-diheptyl-1,2,4-triazol-4-amine?
3,5-diheptyl-1,2,4-triazol-4-amine has a molecular weight of 280.46 g/mol, XLogP of 4.02, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diheptyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 2769373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).