3-cyclohexyl-6-methyl-1H-pyrazin-2-one

C11H16N2O — CID 125457865

IUPAC3-cyclohexyl-6-methyl-1H-pyrazin-2-one
SMILESCc1cnc(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N2O/c1-8-7-12-10(11(14)13-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14)
InChIKeyMDEGJLNIDZKEIX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.13
Rot. Bonds1

About 3-cyclohexyl-6-methyl-1H-pyrazin-2-one

3-cyclohexyl-6-methyl-1H-pyrazin-2-one (PubChem CID 125457865) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-cyclohexyl-6-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-cyclohexyl-6-methyl-1H-pyrazin-2-one
PubChem CID125457865
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-cyclohexyl-6-methyl-1H-pyrazin-2-one
SMILESCc1cnc(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N2O/c1-8-7-12-10(11(14)13-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14)
InChIKeyMDEGJLNIDZKEIX-UHFFFAOYSA-N
XLogP2.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-methyl-1H-pyrazin-2-one?
The IUPAC name of 3-cyclohexyl-6-methyl-1H-pyrazin-2-one (CID 125457865) is 3-cyclohexyl-6-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-cyclohexyl-6-methyl-1H-pyrazin-2-one?
The canonical SMILES for 3-cyclohexyl-6-methyl-1H-pyrazin-2-one is Cc1cnc(C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 3-cyclohexyl-6-methyl-1H-pyrazin-2-one?
The InChIKey is MDEGJLNIDZKEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-7-12-10(11(14)13-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-cyclohexyl-6-methyl-1H-pyrazin-2-one?
3-cyclohexyl-6-methyl-1H-pyrazin-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 125457865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).