2-amino-1-pyrazin-2-ylpent-4-en-1-one

C9H11N3O — CID 116606989

IUPAC2-amino-1-pyrazin-2-ylpent-4-en-1-one
SMILESC=CCC(N)C(=O)c1cnccn1
InChIInChI=1S/C9H11N3O/c1-2-3-7(10)9(13)8-6-11-4-5-12-8/h2,4-7H,1,3,10H2
InChIKeyYKEDGLVDXZFBRT-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.56
Rot. Bonds4

About 2-amino-1-pyrazin-2-ylpent-4-en-1-one

2-amino-1-pyrazin-2-ylpent-4-en-1-one (PubChem CID 116606989) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-amino-1-pyrazin-2-ylpent-4-en-1-one.

Molecular Properties

Compound Name2-amino-1-pyrazin-2-ylpent-4-en-1-one
PubChem CID116606989
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-amino-1-pyrazin-2-ylpent-4-en-1-one
SMILESC=CCC(N)C(=O)c1cnccn1
InChIInChI=1S/C9H11N3O/c1-2-3-7(10)9(13)8-6-11-4-5-12-8/h2,4-7H,1,3,10H2
InChIKeyYKEDGLVDXZFBRT-UHFFFAOYSA-N
XLogP0.56
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.56
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 2-amino-1-pyrazin-2-ylpent-4-en-1-one?
The IUPAC name of 2-amino-1-pyrazin-2-ylpent-4-en-1-one (CID 116606989) is 2-amino-1-pyrazin-2-ylpent-4-en-1-one.
What is the SMILES notation for 2-amino-1-pyrazin-2-ylpent-4-en-1-one?
The canonical SMILES for 2-amino-1-pyrazin-2-ylpent-4-en-1-one is C=CCC(N)C(=O)c1cnccn1.
What is the InChIKey of 2-amino-1-pyrazin-2-ylpent-4-en-1-one?
The InChIKey is YKEDGLVDXZFBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-3-7(10)9(13)8-6-11-4-5-12-8/h2,4-7H,1,3,10H2.
What are the key properties of 2-amino-1-pyrazin-2-ylpent-4-en-1-one?
2-amino-1-pyrazin-2-ylpent-4-en-1-one has a molecular weight of 177.21 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-pyrazin-2-ylpent-4-en-1-one is sourced from PubChem (CID 116606989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).