1-cyclohex-2-en-1-yltetrazole

C7H10N4 — CID 86014035

IUPAC1-cyclohex-2-en-1-yltetrazole
SMILESC1=CC(n2cnnn2)CCC1
InChIInChI=1S/C7H10N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h2,4,6-7H,1,3,5H2
InChIKeySHDGFJDOGXIOKP-UHFFFAOYSA-N
MW150.19 g/mol
LogP0.95
Rot. Bonds1

About 1-cyclohex-2-en-1-yltetrazole

1-cyclohex-2-en-1-yltetrazole (PubChem CID 86014035) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yltetrazole.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yltetrazole
PubChem CID86014035
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name1-cyclohex-2-en-1-yltetrazole
SMILESC1=CC(n2cnnn2)CCC1
InChIInChI=1S/C7H10N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h2,4,6-7H,1,3,5H2
InChIKeySHDGFJDOGXIOKP-UHFFFAOYSA-N
XLogP0.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohexen-2-yl)tetrazole
CID 129747519
1h-1Phenyl-tetrazole
CID 176472674
1-(3-Azidocyclohexen-1-yl)-1,2,4-triazole
CID 121317476
1-Cyclohex-2-en-1-yl-1,2,4-triazole
CID 13491239
1-Cyclohex-2-en-1-yl-5-methyltetrazole
CID 126996082
1-Cyclohex-3-en-1-yl-1,2,4-triazol-3-amine
CID 130775606
1-[(2Z)-cyclooct-2-en-1-yl]-1,2,4-triazole
CID 133633822

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yltetrazole?
The IUPAC name of 1-cyclohex-2-en-1-yltetrazole (CID 86014035) is 1-cyclohex-2-en-1-yltetrazole.
What is the SMILES notation for 1-cyclohex-2-en-1-yltetrazole?
The canonical SMILES for 1-cyclohex-2-en-1-yltetrazole is C1=CC(n2cnnn2)CCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yltetrazole?
The InChIKey is SHDGFJDOGXIOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h2,4,6-7H,1,3,5H2.
What are the key properties of 1-cyclohex-2-en-1-yltetrazole?
1-cyclohex-2-en-1-yltetrazole has a molecular weight of 150.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yltetrazole is sourced from PubChem (CID 86014035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).