1-hex-2-enyl-1,2,4-triazole

C8H13N3 — CID 140996416

IUPAC1-hex-2-enyl-1,2,4-triazole
SMILESCCCC=CCn1cncn1
InChIInChI=1S/C8H13N3/c1-2-3-4-5-6-11-8-9-7-10-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyLJJWQUDIBZZPKQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.63
Rot. Bonds4

About 1-hex-2-enyl-1,2,4-triazole

1-hex-2-enyl-1,2,4-triazole (PubChem CID 140996416) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-hex-2-enyl-1,2,4-triazole.

Molecular Properties

Compound Name1-hex-2-enyl-1,2,4-triazole
PubChem CID140996416
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-hex-2-enyl-1,2,4-triazole
SMILESCCCC=CCn1cncn1
InChIInChI=1S/C8H13N3/c1-2-3-4-5-6-11-8-9-7-10-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyLJJWQUDIBZZPKQ-UHFFFAOYSA-N
XLogP1.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-1,2,4-Triazole, 1-(2-propenyl)-
CID 572564
1-(But-3-en-1-yl)-1H-1,2,4-triazole
CID 11147711
1-[(E)-but-2-enyl]-1,2,4-triazole
CID 12591949
(E)-1-(1,2,4-triazol-1-yl)hex-2-en-1-ol
CID 21612030
1-Deca-2,9-dienyl-1,2,4-triazole
CID 57203582
1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole
CID 58270149
1,4-Bis(prop-2-enyl)-1,2,4-triazol-4-ium
CID 66809833
1-(1,2,4-Triazol-1-yl)hex-2-en-1-ol
CID 70383223
1-(2-Methylbut-2-enyl)-1,2,4-triazole
CID 73166255
1-(2-Buten-1-yl)-1H-1,2,4-triazole
CID 78951339
1-(5-Methylhexa-1,5-dien-3-yl)-1,2,4-triazole
CID 91429396
1-[(4-Methylcyclohexa-1,3-dien-1-yl)methyl]-1,2,4-triazole
CID 122591774

Frequently Asked Questions

What is the IUPAC name of 1-hex-2-enyl-1,2,4-triazole?
The IUPAC name of 1-hex-2-enyl-1,2,4-triazole (CID 140996416) is 1-hex-2-enyl-1,2,4-triazole.
What is the SMILES notation for 1-hex-2-enyl-1,2,4-triazole?
The canonical SMILES for 1-hex-2-enyl-1,2,4-triazole is CCCC=CCn1cncn1.
What is the InChIKey of 1-hex-2-enyl-1,2,4-triazole?
The InChIKey is LJJWQUDIBZZPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-4-5-6-11-8-9-7-10-11/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 1-hex-2-enyl-1,2,4-triazole?
1-hex-2-enyl-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-2-enyl-1,2,4-triazole is sourced from PubChem (CID 140996416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).