1-cyclohex-2-en-1-yl-1,2,4-triazole

C8H11N3 — CID 13491239

IUPAC1-cyclohex-2-en-1-yl-1,2,4-triazole
SMILESC1=CC(n2cncn2)CCC1
InChIInChI=1S/C8H11N3/c1-2-4-8(5-3-1)11-7-9-6-10-11/h2,4,6-8H,1,3,5H2
InChIKeyMIMVFXNPENPKIG-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.56
Rot. Bonds1

About 1-cyclohex-2-en-1-yl-1,2,4-triazole

1-cyclohex-2-en-1-yl-1,2,4-triazole (PubChem CID 13491239) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-1,2,4-triazole
PubChem CID13491239
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-cyclohex-2-en-1-yl-1,2,4-triazole
SMILESC1=CC(n2cncn2)CCC1
InChIInChI=1S/C8H11N3/c1-2-4-8(5-3-1)11-7-9-6-10-11/h2,4,6-8H,1,3,5H2
InChIKeyMIMVFXNPENPKIG-UHFFFAOYSA-N
XLogP1.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.56
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

N-(2-cyclohexenyl)-tetrazole
CID 86014035
1-(Cyclohex-2-en-1-yl)-3-nitro-1h-1,2,4-triazole
CID 129753272
1-Deca-2,9-dienyl-1,2,4-triazole
CID 57203582
(1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine
CID 68830180
1-(4-Methylidenecyclohexyl)-1,2,4-triazole
CID 89411486
1-(5-Methylhexa-1,5-dien-3-yl)-1,2,4-triazole
CID 91429396
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine;hydrochloride
CID 117763561
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine
CID 117763562
1-(3-Azidocyclohexen-1-yl)-1,2,4-triazole
CID 121317476
1-(3-Azido-4,4-dimethylcyclohexen-1-yl)-1,2,4-triazole
CID 121317634
1-[(4-Methylcyclohexa-1,3-dien-1-yl)methyl]-1,2,4-triazole
CID 122591774
1-Pent-3-en-2-yl-1,2,4-triazole
CID 123592496

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-1,2,4-triazole?
The IUPAC name of 1-cyclohex-2-en-1-yl-1,2,4-triazole (CID 13491239) is 1-cyclohex-2-en-1-yl-1,2,4-triazole.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-1,2,4-triazole?
The canonical SMILES for 1-cyclohex-2-en-1-yl-1,2,4-triazole is C1=CC(n2cncn2)CCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-1,2,4-triazole?
The InChIKey is MIMVFXNPENPKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-4-8(5-3-1)11-7-9-6-10-11/h2,4,6-8H,1,3,5H2.
What are the key properties of 1-cyclohex-2-en-1-yl-1,2,4-triazole?
1-cyclohex-2-en-1-yl-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-1,2,4-triazole is sourced from PubChem (CID 13491239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).