1-cyclohexyl-5-ethenyltetrazole

C9H14N4 — CID 150524485

IUPAC1-cyclohexyl-5-ethenyltetrazole
SMILESC=Cc1nnnn1C1CCCCC1
InChIInChI=1S/C9H14N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChIKeyICNDCGQARSRJRZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.82
Rot. Bonds2

About 1-cyclohexyl-5-ethenyltetrazole

1-cyclohexyl-5-ethenyltetrazole (PubChem CID 150524485) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-cyclohexyl-5-ethenyltetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-ethenyltetrazole
PubChem CID150524485
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-cyclohexyl-5-ethenyltetrazole
SMILESC=Cc1nnnn1C1CCCCC1
InChIInChI=1S/C9H14N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChIKeyICNDCGQARSRJRZ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Tetrazole, 1-cyclohexyl-5-methyl-
CID 202194
1H-Tetrazole, 1-cyclohexyl-5-ethyl-
CID 206250
1-Cyclohexyl-5-diazomethyltetrazole
CID 13789281
1-Cyclohexyl-5-pentyltetrazole
CID 20728709
1-Cyclohexyl-5-(3-butenyl)tetrazole
CID 23560832
1-Cyclohexyl-5-propyltetrazole
CID 89030996
1-Cyclohexyl-5-prop-1-en-2-yltetrazole
CID 153609685
1-[(1-Cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine
CID 857872
1-Cyclohexyltetrazole-5-carbonitrile
CID 12391586
1-Cyclohexyl-5-prop-2-enyltetrazole
CID 88490892
1-Cyclohexyl-4,5-dimethyltetrazol-4-ium
CID 88711982
5-Ethenyl-1-propan-2-yltetrazole
CID 115011332

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-ethenyltetrazole?
The IUPAC name of 1-cyclohexyl-5-ethenyltetrazole (CID 150524485) is 1-cyclohexyl-5-ethenyltetrazole.
What is the SMILES notation for 1-cyclohexyl-5-ethenyltetrazole?
The canonical SMILES for 1-cyclohexyl-5-ethenyltetrazole is C=Cc1nnnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-ethenyltetrazole?
The InChIKey is ICNDCGQARSRJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h2,8H,1,3-7H2.
What are the key properties of 1-cyclohexyl-5-ethenyltetrazole?
1-cyclohexyl-5-ethenyltetrazole has a molecular weight of 178.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-ethenyltetrazole is sourced from PubChem (CID 150524485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).