5-nonyl-1H-1,2,4-triazol-3-amine

C11H22N4 — CID 566934

IUPAC5-nonyl-1H-1,2,4-triazol-3-amine
SMILESCCCCCCCCCc1nc(N)n[nH]1
InChIInChI=1S/C11H22N4/c1-2-3-4-5-6-7-8-9-10-13-11(12)15-14-10/h2-9H2,1H3,(H3,12,13,14,15)
InChIKeyHPOHZMMRYYDGAM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.68
Rot. Bonds8

About 5-nonyl-1H-1,2,4-triazol-3-amine

5-nonyl-1H-1,2,4-triazol-3-amine (PubChem CID 566934) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-nonyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-nonyl-1H-1,2,4-triazol-3-amine
PubChem CID566934
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-nonyl-1H-1,2,4-triazol-3-amine
SMILESCCCCCCCCCc1nc(N)n[nH]1
InChIInChI=1S/C11H22N4/c1-2-3-4-5-6-7-8-9-10-13-11(12)15-14-10/h2-9H2,1H3,(H3,12,13,14,15)
InChIKeyHPOHZMMRYYDGAM-UHFFFAOYSA-N
XLogP2.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-nonyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-nonyl-1H-1,2,4-triazol-3-amine (CID 566934) is 5-nonyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-nonyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-nonyl-1H-1,2,4-triazol-3-amine is CCCCCCCCCc1nc(N)n[nH]1.
What is the InChIKey of 5-nonyl-1H-1,2,4-triazol-3-amine?
The InChIKey is HPOHZMMRYYDGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-2-3-4-5-6-7-8-9-10-13-11(12)15-14-10/h2-9H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-nonyl-1H-1,2,4-triazol-3-amine?
5-nonyl-1H-1,2,4-triazol-3-amine has a molecular weight of 210.32 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 566934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).