1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole

C10H20N4 — CID 163582276

IUPAC1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole
SMILESCCC1N=NNN1CC1CCCCC1
InChIInChI=1S/C10H20N4/c1-2-10-11-12-13-14(10)8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,11,13)
InChIKeyGIOCGOZBJTUVST-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.49
Rot. Bonds3

About 1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole

1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole (PubChem CID 163582276) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole
PubChem CID163582276
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole
SMILESCCC1N=NNN1CC1CCCCC1
InChIInChI=1S/C10H20N4/c1-2-10-11-12-13-14(10)8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,11,13)
InChIKeyGIOCGOZBJTUVST-UHFFFAOYSA-N
XLogP2.49
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylhexyl)-2H-tetrazole-5-thione
CID 20780722
5-Hexan-2-yl-1-methyl-2,5-dihydrotetrazole
CID 123257935
1-Methyl-5-octan-4-yl-2,5-dihydrotetrazole
CID 123405639
1-Methyl-5-nonan-5-yl-2,5-dihydrotetrazole
CID 123524641
1-(2-cyclohexylethyl)-2H-tetrazole-5-thione
CID 60920974
1-[(4-methylcyclohexyl)methyl]-2H-tetrazole-5-thione
CID 63243822
1-[(3-methylcyclohexyl)methyl]-2H-tetrazole-5-thione
CID 105926367

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole?
The IUPAC name of 1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole (CID 163582276) is 1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole?
The canonical SMILES for 1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole is CCC1N=NNN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole?
The InChIKey is GIOCGOZBJTUVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-2-10-11-12-13-14(10)8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,11,13).
What are the key properties of 1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole?
1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole has a molecular weight of 196.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole is sourced from PubChem (CID 163582276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).