1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone

C10H16N4O — CID 58356088

IUPAC1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone
SMILESCC(=O)C1CCC(n2nnnc2C)CC1
InChIInChI=1S/C10H16N4O/c1-7(15)9-3-5-10(6-4-9)14-8(2)11-12-13-14/h9-10H,3-6H2,1-2H3
InChIKeyIMJZEENZODRCTK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.30
Rot. Bonds2

About 1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone

1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone (PubChem CID 58356088) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone
PubChem CID58356088
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone
SMILESCC(=O)C1CCC(n2nnnc2C)CC1
InChIInChI=1S/C10H16N4O/c1-7(15)9-3-5-10(6-4-9)14-8(2)11-12-13-14/h9-10H,3-6H2,1-2H3
InChIKeyIMJZEENZODRCTK-UHFFFAOYSA-N
XLogP1.30
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone?
The IUPAC name of 1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone (CID 58356088) is 1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone?
The canonical SMILES for 1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone is CC(=O)C1CCC(n2nnnc2C)CC1.
What is the InChIKey of 1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone?
The InChIKey is IMJZEENZODRCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(15)9-3-5-10(6-4-9)14-8(2)11-12-13-14/h9-10H,3-6H2,1-2H3.
What are the key properties of 1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone?
1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyltetrazol-1-yl)cyclohexyl]ethanone is sourced from PubChem (CID 58356088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).