1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone

C9H14N4O — CID 118221219

IUPAC1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2nn[nH]n2)CC1
InChIInChI=1S/C9H14N4O/c1-6(14)7-2-4-8(5-3-7)9-10-12-13-11-9/h7-8H,2-5H2,1H3,(H,10,11,12,13)
InChIKeyVTODLKPQIHLMBW-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.06
Rot. Bonds2

About 1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone

1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone (PubChem CID 118221219) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone
PubChem CID118221219
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2nn[nH]n2)CC1
InChIInChI=1S/C9H14N4O/c1-6(14)7-2-4-8(5-3-7)9-10-12-13-11-9/h7-8H,2-5H2,1H3,(H,10,11,12,13)
InChIKeyVTODLKPQIHLMBW-UHFFFAOYSA-N
XLogP1.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone?
The IUPAC name of 1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone (CID 118221219) is 1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone?
The canonical SMILES for 1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone is CC(=O)C1CCC(c2nn[nH]n2)CC1.
What is the InChIKey of 1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone?
The InChIKey is VTODLKPQIHLMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(14)7-2-4-8(5-3-7)9-10-12-13-11-9/h7-8H,2-5H2,1H3,(H,10,11,12,13).
What are the key properties of 1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone?
1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone has a molecular weight of 194.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone is sourced from PubChem (CID 118221219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).