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

C12H24N4 — CID 53434670

IUPAC3,5-dipentyl-1,2,4-triazol-4-amine
SMILESCCCCCc1nnc(CCCCC)n1N
InChIInChI=1S/C12H24N4/c1-3-5-7-9-11-14-15-12(16(11)13)10-8-6-4-2/h3-10,13H2,1-2H3
InChIKeyNHDKZXXFWQCSFY-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.46
Rot. Bonds8

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

3,5-dipentyl-1,2,4-triazol-4-amine (PubChem CID 53434670) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3,5-dipentyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-dipentyl-1,2,4-triazol-4-amine
PubChem CID53434670
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3,5-dipentyl-1,2,4-triazol-4-amine
SMILESCCCCCc1nnc(CCCCC)n1N
InChIInChI=1S/C12H24N4/c1-3-5-7-9-11-14-15-12(16(11)13)10-8-6-4-2/h3-10,13H2,1-2H3
InChIKeyNHDKZXXFWQCSFY-UHFFFAOYSA-N
XLogP2.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dipentyl-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

Related Compounds

4-Amino-3,5-dimethyl-1,2,4-triazole
CID 229800
3-Heptyl-1H-1,2,4-triazol-5-amine
CID 566931
3,5-Diethyl-4h-1,2,4-triazol-4-amine
CID 221248
3-Nonyl-1H-1,2,4-triazol-5-amine
CID 566934
Phosphonothioic diamide, (5-amino-3-pentyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 24841652
Sbb059526
CID 2769373
3,5-Dipropyl-1,2,4-triazol-4-ylamine
CID 2758722
5-Undecyl-1h-1,2,4-triazol-3-amine
CID 292323
5-butyl-1H-1,2,4-triazol-3-amine
CID 3614305
3-Hexyl-1h-1,2,4-triazol-5-amine
CID 4272574
3,5-dipropyl-1H-1,2,4-triazole
CID 11390288
3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine
CID 14338417

Frequently Asked Questions

What is the IUPAC name of 3,5-dipentyl-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-dipentyl-1,2,4-triazol-4-amine (CID 53434670) is 3,5-dipentyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-dipentyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-dipentyl-1,2,4-triazol-4-amine is CCCCCc1nnc(CCCCC)n1N.
What is the InChIKey of 3,5-dipentyl-1,2,4-triazol-4-amine?
The InChIKey is NHDKZXXFWQCSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-3-5-7-9-11-14-15-12(16(11)13)10-8-6-4-2/h3-10,13H2,1-2H3.
What are the key properties of 3,5-dipentyl-1,2,4-triazol-4-amine?
3,5-dipentyl-1,2,4-triazol-4-amine has a molecular weight of 224.35 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipentyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 53434670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).