4-Amino-3,5-dipentyl-4h-1,2,4-triazole

C12H24N4 — CID 53434670

IUPAC3,5-dipentyl-1,2,4-triazol-4-amine
SMILESCCCCCC1=NN=C(N1N)CCCCC
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
LogP3.70
Rot. Bonds8

About 4-Amino-3,5-dipentyl-4h-1,2,4-triazole

4-Amino-3,5-dipentyl-4h-1,2,4-triazole (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 Name4-Amino-3,5-dipentyl-4h-1,2,4-triazole
PubChem CID53434670
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3,5-dipentyl-1,2,4-triazol-4-amine
SMILESCCCCCC1=NN=C(N1N)CCCCC
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
XLogP3.70
TPSA56.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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 4-Amino-3,5-dipentyl-4h-1,2,4-triazole?
The IUPAC name of 4-Amino-3,5-dipentyl-4h-1,2,4-triazole (CID 53434670) is 3,5-dipentyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 4-Amino-3,5-dipentyl-4h-1,2,4-triazole?
The canonical SMILES for 4-Amino-3,5-dipentyl-4h-1,2,4-triazole is CCCCCC1=NN=C(N1N)CCCCC.
What is the InChIKey of 4-Amino-3,5-dipentyl-4h-1,2,4-triazole?
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 4-Amino-3,5-dipentyl-4h-1,2,4-triazole?
4-Amino-3,5-dipentyl-4h-1,2,4-triazole has a molecular weight of 224.35 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Amino-3,5-dipentyl-4h-1,2,4-triazole is sourced from PubChem (CID 53434670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).