3-octyl-1,2,4-triazol-4-amine

C10H20N4 — CID 165358643

IUPAC3-octyl-1,2,4-triazol-4-amine
SMILESCCCCCCCCc1nncn1N
InChIInChI=1S/C10H20N4/c1-2-3-4-5-6-7-8-10-13-12-9-14(10)11/h9H,2-8,11H2,1H3
InChIKeyFKKZEUXSZHQORP-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.89
Rot. Bonds7

About 3-octyl-1,2,4-triazol-4-amine

3-octyl-1,2,4-triazol-4-amine (PubChem CID 165358643) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-octyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-octyl-1,2,4-triazol-4-amine
PubChem CID165358643
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-octyl-1,2,4-triazol-4-amine
SMILESCCCCCCCCc1nncn1N
InChIInChI=1S/C10H20N4/c1-2-3-4-5-6-7-8-10-13-12-9-14(10)11/h9H,2-8,11H2,1H3
InChIKeyFKKZEUXSZHQORP-UHFFFAOYSA-N
XLogP1.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-undecylimidazol-1-amine
CID 19980062
2-decyl-4-methylimidazol-1-amine
CID 154390416
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
5-heptyl-1,2,4-triazole-3,4-diamine
CID 79006366
5-undecyl-1,2,4-triazole-3,4-diamine
CID 574678
4-(4-methoxyphenyl)-3-tridecyl-1,2,4-triazole
CID 54071497
3-hexyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 141276323
(3,5-didecyl-1,2,4-triazol-4-yl)methanamine
CID 126601324
2-octyl-1,3,4-oxadiazole
CID 17244516
(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
6-chloro-3-heptyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144368

Frequently Asked Questions

What is the IUPAC name of 3-octyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-octyl-1,2,4-triazol-4-amine (CID 165358643) is 3-octyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-octyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-octyl-1,2,4-triazol-4-amine is CCCCCCCCc1nncn1N.
What is the InChIKey of 3-octyl-1,2,4-triazol-4-amine?
The InChIKey is FKKZEUXSZHQORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-2-3-4-5-6-7-8-10-13-12-9-14(10)11/h9H,2-8,11H2,1H3.
What are the key properties of 3-octyl-1,2,4-triazol-4-amine?
3-octyl-1,2,4-triazol-4-amine has a molecular weight of 196.30 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 165358643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).