1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone

C9H14N4O — CID 10821642

IUPAC1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone
SMILESO=C(Cc1nn[nH]n1)C1CCCCC1
InChIInChI=1S/C9H14N4O/c14-8(6-9-10-12-13-11-9)7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11,12,13)
InChIKeyBWCJRWPYBMRIBM-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.89
Rot. Bonds3

About 1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone

1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone (PubChem CID 10821642) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone
PubChem CID10821642
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone
SMILESO=C(Cc1nn[nH]n1)C1CCCCC1
InChIInChI=1S/C9H14N4O/c14-8(6-9-10-12-13-11-9)7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11,12,13)
InChIKeyBWCJRWPYBMRIBM-UHFFFAOYSA-N
XLogP0.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone (CID 10821642) is 1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone is O=C(Cc1nn[nH]n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone?
The InChIKey is BWCJRWPYBMRIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-8(6-9-10-12-13-11-9)7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11,12,13).
What are the key properties of 1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone?
1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone has a molecular weight of 194.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2H-tetrazol-5-yl)ethanone is sourced from PubChem (CID 10821642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).