1-nonyl-1,2,4-triazole

C11H21N3 — CID 23344126

IUPAC1-nonyl-1,2,4-triazole
SMILESCCCCCCCCCn1cncn1
InChIInChI=1S/C11H21N3/c1-2-3-4-5-6-7-8-9-14-11-12-10-13-14/h10-11H,2-9H2,1H3
InChIKeyRCYGLJWIMLIQEM-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.03
Rot. Bonds8

About 1-nonyl-1,2,4-triazole

1-nonyl-1,2,4-triazole (PubChem CID 23344126) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-nonyl-1,2,4-triazole.

Molecular Properties

Compound Name1-nonyl-1,2,4-triazole
PubChem CID23344126
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-nonyl-1,2,4-triazole
SMILESCCCCCCCCCn1cncn1
InChIInChI=1S/C11H21N3/c1-2-3-4-5-6-7-8-9-14-11-12-10-13-14/h10-11H,2-9H2,1H3
InChIKeyRCYGLJWIMLIQEM-UHFFFAOYSA-N
XLogP3.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
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 1-nonyl-1,2,4-triazole?
The IUPAC name of 1-nonyl-1,2,4-triazole (CID 23344126) is 1-nonyl-1,2,4-triazole.
What is the SMILES notation for 1-nonyl-1,2,4-triazole?
The canonical SMILES for 1-nonyl-1,2,4-triazole is CCCCCCCCCn1cncn1.
What is the InChIKey of 1-nonyl-1,2,4-triazole?
The InChIKey is RCYGLJWIMLIQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-3-4-5-6-7-8-9-14-11-12-10-13-14/h10-11H,2-9H2,1H3.
What are the key properties of 1-nonyl-1,2,4-triazole?
1-nonyl-1,2,4-triazole has a molecular weight of 195.31 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-1,2,4-triazole is sourced from PubChem (CID 23344126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).