1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

C12H20N4O — CID 107047157

IUPAC1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCC1CCCC(C(=O)Cc2nnn(C)n2)C1
InChIInChI=1S/C12H20N4O/c1-3-9-5-4-6-10(7-9)11(17)8-12-13-15-16(2)14-12/h9-10H,3-8H2,1-2H3
InChIKeySWULTEWPNWWDAG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.54
Rot. Bonds4

About 1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047157) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047157
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCC1CCCC(C(=O)Cc2nnn(C)n2)C1
InChIInChI=1S/C12H20N4O/c1-3-9-5-4-6-10(7-9)11(17)8-12-13-15-16(2)14-12/h9-10H,3-8H2,1-2H3
InChIKeySWULTEWPNWWDAG-UHFFFAOYSA-N
XLogP1.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047157) is 1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is CCC1CCCC(C(=O)Cc2nnn(C)n2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is SWULTEWPNWWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-9-5-4-6-10(7-9)11(17)8-12-13-15-16(2)14-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 236.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).