4-oct-1-enyl-2H-triazole

C10H17N3 — CID 69116226

IUPAC4-oct-1-enyl-2H-triazole
SMILESCCCCCCC=Cc1cn[nH]n1
InChIInChI=1S/C10H17N3/c1-2-3-4-5-6-7-8-10-9-11-13-12-10/h7-9H,2-6H2,1H3,(H,11,12,13)
InChIKeyRTPWCSAFWSRURP-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.79
Rot. Bonds6

About 4-oct-1-enyl-2H-triazole

4-oct-1-enyl-2H-triazole (PubChem CID 69116226) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-oct-1-enyl-2H-triazole.

Molecular Properties

Compound Name4-oct-1-enyl-2H-triazole
PubChem CID69116226
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-oct-1-enyl-2H-triazole
SMILESCCCCCCC=Cc1cn[nH]n1
InChIInChI=1S/C10H17N3/c1-2-3-4-5-6-7-8-10-9-11-13-12-10/h7-9H,2-6H2,1H3,(H,11,12,13)
InChIKeyRTPWCSAFWSRURP-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-oct-1-enyl-2H-triazole?
The IUPAC name of 4-oct-1-enyl-2H-triazole (CID 69116226) is 4-oct-1-enyl-2H-triazole.
What is the SMILES notation for 4-oct-1-enyl-2H-triazole?
The canonical SMILES for 4-oct-1-enyl-2H-triazole is CCCCCCC=Cc1cn[nH]n1.
What is the InChIKey of 4-oct-1-enyl-2H-triazole?
The InChIKey is RTPWCSAFWSRURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-3-4-5-6-7-8-10-9-11-13-12-10/h7-9H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 4-oct-1-enyl-2H-triazole?
4-oct-1-enyl-2H-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oct-1-enyl-2H-triazole is sourced from PubChem (CID 69116226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).