5-cyclohex-2-en-1-yl-1-methyltetrazole

C8H12N4 — CID 175705461

IUPAC5-cyclohex-2-en-1-yl-1-methyltetrazole
SMILESCn1nnnc1C1C=CCCC1
InChIInChI=1S/C8H12N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
InChIKeyJBOCFRIVHXQMTC-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.03
Rot. Bonds1

About 5-cyclohex-2-en-1-yl-1-methyltetrazole

5-cyclohex-2-en-1-yl-1-methyltetrazole (PubChem CID 175705461) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yl-1-methyltetrazole.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yl-1-methyltetrazole
PubChem CID175705461
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5-cyclohex-2-en-1-yl-1-methyltetrazole
SMILESCn1nnnc1C1C=CCCC1
InChIInChI=1S/C8H12N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
InChIKeyJBOCFRIVHXQMTC-UHFFFAOYSA-N
XLogP1.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-2-en-1-yl-1-methyltetrazole?
The IUPAC name of 5-cyclohex-2-en-1-yl-1-methyltetrazole (CID 175705461) is 5-cyclohex-2-en-1-yl-1-methyltetrazole.
What is the SMILES notation for 5-cyclohex-2-en-1-yl-1-methyltetrazole?
The canonical SMILES for 5-cyclohex-2-en-1-yl-1-methyltetrazole is Cn1nnnc1C1C=CCCC1.
What is the InChIKey of 5-cyclohex-2-en-1-yl-1-methyltetrazole?
The InChIKey is JBOCFRIVHXQMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 5-cyclohex-2-en-1-yl-1-methyltetrazole?
5-cyclohex-2-en-1-yl-1-methyltetrazole has a molecular weight of 164.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yl-1-methyltetrazole is sourced from PubChem (CID 175705461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).