1-hept-6-enyl-1,2,4-triazole

C9H15N3 — CID 107010196

IUPAC1-hept-6-enyl-1,2,4-triazole
SMILESC=CCCCCCn1cncn1
InChIInChI=1S/C9H15N3/c1-2-3-4-5-6-7-12-9-10-8-11-12/h2,8-9H,1,3-7H2
InChIKeyWRWYNOPOGOWBOQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.02
Rot. Bonds6

About 1-hept-6-enyl-1,2,4-triazole

1-hept-6-enyl-1,2,4-triazole (PubChem CID 107010196) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2,4-triazole.

Molecular Properties

Compound Name1-hept-6-enyl-1,2,4-triazole
PubChem CID107010196
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-hept-6-enyl-1,2,4-triazole
SMILESC=CCCCCCn1cncn1
InChIInChI=1S/C9H15N3/c1-2-3-4-5-6-7-12-9-10-8-11-12/h2,8-9H,1,3-7H2
InChIKeyWRWYNOPOGOWBOQ-UHFFFAOYSA-N
XLogP2.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(But-3-en-1-yl)-1H-1,2,4-triazole
CID 11147711
1-(2-Prop-2-enylhept-6-enyl)-1,2,4-triazole
CID 19745068
1-Deca-2,9-dienyl-1,2,4-triazole
CID 57203582
1-(1,2,4-Triazol-1-yl)hex-5-en-3-one
CID 70383185
1-(4-Methylidenecyclohexyl)-1,2,4-triazole
CID 89411486
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
Trimethyl-[5-(1,2,4-triazol-1-yl)pent-1-en-3-yl]silane
CID 140982525
1-(2-Ethylbut-3-enyl)-1,2,4-triazole
CID 140994090
1-Hex-2-enyl-1,2,4-triazole
CID 140996416
4-Pent-4-enyl-1,2,4-triazole
CID 168886728
4-(4-Methylpent-4-enyl)-1,2,4-triazole
CID 169809967

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1,2,4-triazole?
The IUPAC name of 1-hept-6-enyl-1,2,4-triazole (CID 107010196) is 1-hept-6-enyl-1,2,4-triazole.
What is the SMILES notation for 1-hept-6-enyl-1,2,4-triazole?
The canonical SMILES for 1-hept-6-enyl-1,2,4-triazole is C=CCCCCCn1cncn1.
What is the InChIKey of 1-hept-6-enyl-1,2,4-triazole?
The InChIKey is WRWYNOPOGOWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-3-4-5-6-7-12-9-10-8-11-12/h2,8-9H,1,3-7H2.
What are the key properties of 1-hept-6-enyl-1,2,4-triazole?
1-hept-6-enyl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2,4-triazole is sourced from PubChem (CID 107010196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).