5-heptyl-1,2,4-triazole-3,4-diamine

C9H19N5 — CID 79006366

IUPAC5-heptyl-1,2,4-triazole-3,4-diamine
SMILESCCCCCCCc1nnc(N)n1N
InChIInChI=1S/C9H19N5/c1-2-3-4-5-6-7-8-12-13-9(10)14(8)11/h2-7,11H2,1H3,(H2,10,13)
InChIKeyCKSKIFDDGYAMNQ-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.09
Rot. Bonds6

About 5-heptyl-1,2,4-triazole-3,4-diamine

5-heptyl-1,2,4-triazole-3,4-diamine (PubChem CID 79006366) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 5-heptyl-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-heptyl-1,2,4-triazole-3,4-diamine
PubChem CID79006366
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name5-heptyl-1,2,4-triazole-3,4-diamine
SMILESCCCCCCCc1nnc(N)n1N
InChIInChI=1S/C9H19N5/c1-2-3-4-5-6-7-8-12-13-9(10)14(8)11/h2-7,11H2,1H3,(H2,10,13)
InChIKeyCKSKIFDDGYAMNQ-UHFFFAOYSA-N
XLogP1.09
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-heptyl-1,2,4-triazole-3,4-diamine 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

5-undecyl-1,2,4-triazole-3,4-diamine
CID 574678
(3,5-didecyl-1,2,4-triazol-4-yl)methanamine
CID 126601324
(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine
CID 126601317
(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 114754387
3-octyl-1,2,4-triazol-4-amine
CID 165358643
5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine
CID 107146750
(5-octyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112593090
(5-heptyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112592993
3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 141276323
3-(chloromethyl)-4-ethyl-5-nonyl-1,2,4-triazole
CID 113302063
2-undecylimidazol-1-amine
CID 19980062
3-(bromomethyl)-4-ethyl-5-hexyl-1,2,4-triazole
CID 114754363

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-heptyl-1,2,4-triazole-3,4-diamine (CID 79006366) is 5-heptyl-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-heptyl-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-heptyl-1,2,4-triazole-3,4-diamine is CCCCCCCc1nnc(N)n1N.
What is the InChIKey of 5-heptyl-1,2,4-triazole-3,4-diamine?
The InChIKey is CKSKIFDDGYAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-2-3-4-5-6-7-8-12-13-9(10)14(8)11/h2-7,11H2,1H3,(H2,10,13).
What are the key properties of 5-heptyl-1,2,4-triazole-3,4-diamine?
5-heptyl-1,2,4-triazole-3,4-diamine has a molecular weight of 197.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 79006366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).