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

C8H12N4 — CID 126996082

IUPAC1-cyclohex-2-en-1-yl-5-methyltetrazole
SMILESCc1nnnn1C1C=CCCC1
InChIInChI=1S/C8H12N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h3,5,8H,2,4,6H2,1H3
InChIKeyZTUWUPYMKLPPAI-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.26
Rot. Bonds1

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

1-cyclohex-2-en-1-yl-5-methyltetrazole (PubChem CID 126996082) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-5-methyltetrazole.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-5-methyltetrazole
PubChem CID126996082
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-cyclohex-2-en-1-yl-5-methyltetrazole
SMILESCc1nnnn1C1C=CCCC1
InChIInChI=1S/C8H12N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h3,5,8H,2,4,6H2,1H3
InChIKeyZTUWUPYMKLPPAI-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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Related Compounds

N-(2-cyclohexenyl)-tetrazole
CID 86014035
1,2-Bis[(2-cyclohexenyl)tetrazol-5-yl]ethane
CID 129747757
1-Cyclohexyl-5-(3-butenyl)tetrazole
CID 23560832
1-Cyclohexa-2,4-dien-1-yl-5-methyltetrazole
CID 137467215
5-methyl-1-[(Z)-octadec-9-enyl]tetrazole
CID 139706977
8,9-dihydro-5H-tetrazolo[1,5-a]azepine
CID 150070545
1-Cyclohexyl-5-ethenyltetrazole
CID 150524485
1-Cyclohexyl-5-prop-2-enyltetrazole
CID 88490892
N-[(1-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
CID 127014907
1-Cyclohex-2-en-1-yl-5-ethyltetrazole
CID 131176209
8-[(1-Methyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 137926417

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-5-methyltetrazole?
The IUPAC name of 1-cyclohex-2-en-1-yl-5-methyltetrazole (CID 126996082) is 1-cyclohex-2-en-1-yl-5-methyltetrazole.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-5-methyltetrazole?
The canonical SMILES for 1-cyclohex-2-en-1-yl-5-methyltetrazole is Cc1nnnn1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-5-methyltetrazole?
The InChIKey is ZTUWUPYMKLPPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-7-9-10-11-12(7)8-5-3-2-4-6-8/h3,5,8H,2,4,6H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yl-5-methyltetrazole?
1-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 1-cyclohex-2-en-1-yl-5-methyltetrazole is sourced from PubChem (CID 126996082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).