1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one

C13H21N3O — CID 55156604

IUPAC1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one
SMILESCCn1ccnc(NC2CCCC(C)C2)c1=O
InChIInChI=1S/C13H21N3O/c1-3-16-8-7-14-12(13(16)17)15-11-6-4-5-10(2)9-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyPETZGVUCGGWPEH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.25
Rot. Bonds3

About 1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one

1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one (PubChem CID 55156604) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one
PubChem CID55156604
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one
SMILESCCn1ccnc(NC2CCCC(C)C2)c1=O
InChIInChI=1S/C13H21N3O/c1-3-16-8-7-14-12(13(16)17)15-11-6-4-5-10(2)9-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyPETZGVUCGGWPEH-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one (CID 55156604) is 1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one is CCn1ccnc(NC2CCCC(C)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one?
The InChIKey is PETZGVUCGGWPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16-8-7-14-12(13(16)17)15-11-6-4-5-10(2)9-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one?
1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one is sourced from PubChem (CID 55156604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).