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

C9H13N3O — CID 53015098

IUPAC3-(cyclopropylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CC2)c1=O
InChIInChI=1S/C9H13N3O/c1-2-12-6-5-10-8(9(12)13)11-7-3-4-7/h5-7H,2-4H2,1H3,(H,10,11)
InChIKeyNPHSEGXBDFYSJV-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.84
Rot. Bonds3

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

3-(cyclopropylamino)-1-ethylpyrazin-2-one (PubChem CID 53015098) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-ethylpyrazin-2-one
PubChem CID53015098
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-(cyclopropylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CC2)c1=O
InChIInChI=1S/C9H13N3O/c1-2-12-6-5-10-8(9(12)13)11-7-3-4-7/h5-7H,2-4H2,1H3,(H,10,11)
InChIKeyNPHSEGXBDFYSJV-UHFFFAOYSA-N
XLogP0.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-ethylpyrazin-2-one (CID 53015098) is 3-(cyclopropylamino)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-ethylpyrazin-2-one is CCn1ccnc(NC2CC2)c1=O.
What is the InChIKey of 3-(cyclopropylamino)-1-ethylpyrazin-2-one?
The InChIKey is NPHSEGXBDFYSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-12-6-5-10-8(9(12)13)11-7-3-4-7/h5-7H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-(cyclopropylamino)-1-ethylpyrazin-2-one?
3-(cyclopropylamino)-1-ethylpyrazin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-ethylpyrazin-2-one is sourced from PubChem (CID 53015098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).