3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one

C13H21N3O — CID 55130793

IUPAC3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one
SMILESCCC1CCCCC1Nc1nccn(C)c1=O
InChIInChI=1S/C13H21N3O/c1-3-10-6-4-5-7-11(10)15-12-13(17)16(2)9-8-14-12/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyALLDXVIYPVUCJM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds3

About 3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one

3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one (PubChem CID 55130793) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one
PubChem CID55130793
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one
SMILESCCC1CCCCC1Nc1nccn(C)c1=O
InChIInChI=1S/C13H21N3O/c1-3-10-6-4-5-7-11(10)15-12-13(17)16(2)9-8-14-12/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyALLDXVIYPVUCJM-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one (CID 55130793) is 3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one is CCC1CCCCC1Nc1nccn(C)c1=O.
What is the InChIKey of 3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one?
The InChIKey is ALLDXVIYPVUCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10-6-4-5-7-11(10)15-12-13(17)16(2)9-8-14-12/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one?
3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylcyclohexyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 55130793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).