3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one

C7H9N3O — CID 178058465

IUPAC3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one
SMILESCn1ccnc(/C=C\N)c1=O
InChIInChI=1S/C7H9N3O/c1-10-5-4-9-6(2-3-8)7(10)11/h2-5H,8H2,1H3/b3-2-
InChIKeyDVAOXOTWHRDONI-IHWYPQMZSA-N
MW151.17 g/mol
LogP-0.29
Rot. Bonds1

About 3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one

3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one (PubChem CID 178058465) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one
PubChem CID178058465
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one
SMILESCn1ccnc(/C=C\N)c1=O
InChIInChI=1S/C7H9N3O/c1-10-5-4-9-6(2-3-8)7(10)11/h2-5H,8H2,1H3/b3-2-
InChIKeyDVAOXOTWHRDONI-IHWYPQMZSA-N
XLogP-0.29
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one (CID 178058465) is 3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one is Cn1ccnc(/C=C\N)c1=O.
What is the InChIKey of 3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one?
The InChIKey is DVAOXOTWHRDONI-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H9N3O/c1-10-5-4-9-6(2-3-8)7(10)11/h2-5H,8H2,1H3/b3-2-.
What are the key properties of 3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one?
3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one has a molecular weight of 151.17 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-aminoethenyl]-1-methylpyrazin-2-one is sourced from PubChem (CID 178058465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).