3-(cyclohexylamino)-1-ethylpyrazin-2-one

C12H19N3O — CID 53015097

IUPAC3-(cyclohexylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CCCCC2)c1=O
InChIInChI=1S/C12H19N3O/c1-2-15-9-8-13-11(12(15)16)14-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyMGJYPRRYDRHHDK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds3

About 3-(cyclohexylamino)-1-ethylpyrazin-2-one

3-(cyclohexylamino)-1-ethylpyrazin-2-one (PubChem CID 53015097) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(cyclohexylamino)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylamino)-1-ethylpyrazin-2-one
PubChem CID53015097
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(cyclohexylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CCCCC2)c1=O
InChIInChI=1S/C12H19N3O/c1-2-15-9-8-13-11(12(15)16)14-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyMGJYPRRYDRHHDK-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(cyclohexylamino)-1-ethylpyrazin-2-one (CID 53015097) is 3-(cyclohexylamino)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(cyclohexylamino)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(cyclohexylamino)-1-ethylpyrazin-2-one is CCn1ccnc(NC2CCCCC2)c1=O.
What is the InChIKey of 3-(cyclohexylamino)-1-ethylpyrazin-2-one?
The InChIKey is MGJYPRRYDRHHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-9-8-13-11(12(15)16)14-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(cyclohexylamino)-1-ethylpyrazin-2-one?
3-(cyclohexylamino)-1-ethylpyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-1-ethylpyrazin-2-one is sourced from PubChem (CID 53015097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).