6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one

C9H13N3O — CID 20676281

IUPAC6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one
SMILESC=CCn1c(C)cnc(NC)c1=O
InChIInChI=1S/C9H13N3O/c1-4-5-12-7(2)6-11-8(10-3)9(12)13/h4,6H,1,5H2,2-3H3,(H,10,11)
InChIKeyWZJHSPJJKKSXFD-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.78
Rot. Bonds3

About 6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one

6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one (PubChem CID 20676281) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one.

Molecular Properties

Compound Name6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one
PubChem CID20676281
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one
SMILESC=CCn1c(C)cnc(NC)c1=O
InChIInChI=1S/C9H13N3O/c1-4-5-12-7(2)6-11-8(10-3)9(12)13/h4,6H,1,5H2,2-3H3,(H,10,11)
InChIKeyWZJHSPJJKKSXFD-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one?
The IUPAC name of 6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one (CID 20676281) is 6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one.
What is the SMILES notation for 6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one?
The canonical SMILES for 6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one is C=CCn1c(C)cnc(NC)c1=O.
What is the InChIKey of 6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one?
The InChIKey is WZJHSPJJKKSXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-5-12-7(2)6-11-8(10-3)9(12)13/h4,6H,1,5H2,2-3H3,(H,10,11).
What are the key properties of 6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one?
6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylamino)-1-prop-2-enylpyrazin-2-one is sourced from PubChem (CID 20676281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).