1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

C11H18N4O2 — CID 107047615

IUPAC1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2nnn(C)n2)CC1
InChIInChI=1S/C11H18N4O2/c1-8-3-5-11(17,6-4-8)9(16)7-10-12-14-15(2)13-10/h8,17H,3-7H2,1-2H3
InChIKeyBFORXKRNHAQOOT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.26
Rot. Bonds3

About 1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047615) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047615
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2nnn(C)n2)CC1
InChIInChI=1S/C11H18N4O2/c1-8-3-5-11(17,6-4-8)9(16)7-10-12-14-15(2)13-10/h8,17H,3-7H2,1-2H3
InChIKeyBFORXKRNHAQOOT-UHFFFAOYSA-N
XLogP0.26
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063275
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063602
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047535
1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
1-(chloromethyl)-4-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054051
2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450683
1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047149
1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063428
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol
CID 107047954
3-methyl-1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 107042478
1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 107063286

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047615) is 1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is CC1CCC(O)(C(=O)Cc2nnn(C)n2)CC1.
What is the InChIKey of 1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is BFORXKRNHAQOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-3-5-11(17,6-4-8)9(16)7-10-12-14-15(2)13-10/h8,17H,3-7H2,1-2H3.
What are the key properties of 1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).