1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

C10H16N4O2 — CID 107047605

IUPAC1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(O)CCCCC2)n1
InChIInChI=1S/C10H16N4O2/c1-14-12-9(11-13-14)7-8(15)10(16)5-3-2-4-6-10/h16H,2-7H2,1H3
InChIKeyDEPHBLWQBNJGSF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.02
Rot. Bonds3

About 1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047605) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047605
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(O)CCCCC2)n1
InChIInChI=1S/C10H16N4O2/c1-14-12-9(11-13-14)7-8(15)10(16)5-3-2-4-6-10/h16H,2-7H2,1H3
InChIKeyDEPHBLWQBNJGSF-UHFFFAOYSA-N
XLogP0.02
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047605) is 1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2(O)CCCCC2)n1.
What is the InChIKey of 1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is DEPHBLWQBNJGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14-12-9(11-13-14)7-8(15)10(16)5-3-2-4-6-10/h16H,2-7H2,1H3.
What are the key properties of 1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 224.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).