1-cyclohex-2-en-1-yl-5-ethyltetrazole

C9H14N4 — CID 131176209

IUPAC1-cyclohex-2-en-1-yl-5-ethyltetrazole
SMILESCCc1nnnn1C1C=CCCC1
InChIInChI=1S/C9H14N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyJLDRVQNTWPNWAK-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.52
Rot. Bonds2

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

1-cyclohex-2-en-1-yl-5-ethyltetrazole (PubChem CID 131176209) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-5-ethyltetrazole.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-5-ethyltetrazole
PubChem CID131176209
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-cyclohex-2-en-1-yl-5-ethyltetrazole
SMILESCCc1nnnn1C1C=CCCC1
InChIInChI=1S/C9H14N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyJLDRVQNTWPNWAK-UHFFFAOYSA-N
XLogP1.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclohex-2-en-1-yl-5-ethyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-Cyclohex-2-en-1-yl-1-methyltetrazole
CID 175705461
1-Cyclohexyl-5-prop-2-enyltetrazole
CID 88490892
1-Cyclohex-2-en-1-yl-5-methyltetrazole
CID 126996082
N-[(1-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
CID 127014907
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-ethyltetrazole?
The IUPAC name of 1-cyclohex-2-en-1-yl-5-ethyltetrazole (CID 131176209) is 1-cyclohex-2-en-1-yl-5-ethyltetrazole.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-5-ethyltetrazole?
The canonical SMILES for 1-cyclohex-2-en-1-yl-5-ethyltetrazole is CCc1nnnn1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-5-ethyltetrazole?
The InChIKey is JLDRVQNTWPNWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yl-5-ethyltetrazole?
1-cyclohex-2-en-1-yl-5-ethyltetrazole has a molecular weight of 178.24 g/mol, XLogP of 1.52, 2 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-ethyltetrazole is sourced from PubChem (CID 131176209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).