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

C8H12N4 — CID 11423771

IUPAC2-cyclohex-2-en-1-yl-5-methyltetrazole
SMILESCc1nnn(C2C=CCCC2)n1
InChIInChI=1S/C8H12N4/c1-7-9-11-12(10-7)8-5-3-2-4-6-8/h3,5,8H,2,4,6H2,1H3
InChIKeyXCPHIDZUJZLXMF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.26
Rot. Bonds1

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

2-cyclohex-2-en-1-yl-5-methyltetrazole (PubChem CID 11423771) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-5-methyltetrazole.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-5-methyltetrazole
PubChem CID11423771
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-cyclohex-2-en-1-yl-5-methyltetrazole
SMILESCc1nnn(C2C=CCCC2)n1
InChIInChI=1S/C8H12N4/c1-7-9-11-12(10-7)8-5-3-2-4-6-8/h3,5,8H,2,4,6H2,1H3
InChIKeyXCPHIDZUJZLXMF-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
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 2-cyclohex-2-en-1-yl-5-methyltetrazole?
The IUPAC name of 2-cyclohex-2-en-1-yl-5-methyltetrazole (CID 11423771) is 2-cyclohex-2-en-1-yl-5-methyltetrazole.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-5-methyltetrazole?
The canonical SMILES for 2-cyclohex-2-en-1-yl-5-methyltetrazole is Cc1nnn(C2C=CCCC2)n1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-5-methyltetrazole?
The InChIKey is XCPHIDZUJZLXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-7-9-11-12(10-7)8-5-3-2-4-6-8/h3,5,8H,2,4,6H2,1H3.
What are the key properties of 2-cyclohex-2-en-1-yl-5-methyltetrazole?
2-cyclohex-2-en-1-yl-5-methyltetrazole has a molecular weight of 164.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-5-methyltetrazole is sourced from PubChem (CID 11423771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).