5-amino-3-prop-2-enyl-1H-pyrazin-2-one

C7H9N3O — CID 69462010

IUPAC5-amino-3-prop-2-enyl-1H-pyrazin-2-one
SMILESC=CCc1nc(N)c[nH]c1=O
InChIInChI=1S/C7H9N3O/c1-2-3-5-7(11)9-4-6(8)10-5/h2,4H,1,3H2,(H2,8,10)(H,9,11)
InChIKeyXSNVTIRPSZPGHC-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.08
Rot. Bonds2

About 5-amino-3-prop-2-enyl-1H-pyrazin-2-one

5-amino-3-prop-2-enyl-1H-pyrazin-2-one (PubChem CID 69462010) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-amino-3-prop-2-enyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-amino-3-prop-2-enyl-1H-pyrazin-2-one
PubChem CID69462010
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-amino-3-prop-2-enyl-1H-pyrazin-2-one
SMILESC=CCc1nc(N)c[nH]c1=O
InChIInChI=1S/C7H9N3O/c1-2-3-5-7(11)9-4-6(8)10-5/h2,4H,1,3H2,(H2,8,10)(H,9,11)
InChIKeyXSNVTIRPSZPGHC-UHFFFAOYSA-N
XLogP0.08
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-amino-3-prop-2-enyl-1H-pyrazin-2-one?
The IUPAC name of 5-amino-3-prop-2-enyl-1H-pyrazin-2-one (CID 69462010) is 5-amino-3-prop-2-enyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-amino-3-prop-2-enyl-1H-pyrazin-2-one?
The canonical SMILES for 5-amino-3-prop-2-enyl-1H-pyrazin-2-one is C=CCc1nc(N)c[nH]c1=O.
What is the InChIKey of 5-amino-3-prop-2-enyl-1H-pyrazin-2-one?
The InChIKey is XSNVTIRPSZPGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-3-5-7(11)9-4-6(8)10-5/h2,4H,1,3H2,(H2,8,10)(H,9,11).
What are the key properties of 5-amino-3-prop-2-enyl-1H-pyrazin-2-one?
5-amino-3-prop-2-enyl-1H-pyrazin-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-prop-2-enyl-1H-pyrazin-2-one is sourced from PubChem (CID 69462010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).