3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one

C13H16N2O — CID 67894433

IUPAC3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one
SMILESC=CCc1nc(CC=C)c(=O)[nH]c1CC=C
InChIInChI=1S/C13H16N2O/c1-4-7-10-11(8-5-2)15-13(16)12(14-10)9-6-3/h4-6H,1-3,7-9H2,(H,15,16)
InChIKeyWERBVESXXGIHNT-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.96
Rot. Bonds6

About 3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one

3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one (PubChem CID 67894433) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one
PubChem CID67894433
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one
SMILESC=CCc1nc(CC=C)c(=O)[nH]c1CC=C
InChIInChI=1S/C13H16N2O/c1-4-7-10-11(8-5-2)15-13(16)12(14-10)9-6-3/h4-6H,1-3,7-9H2,(H,15,16)
InChIKeyWERBVESXXGIHNT-UHFFFAOYSA-N
XLogP1.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one?
The IUPAC name of 3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one (CID 67894433) is 3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one?
The canonical SMILES for 3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one is C=CCc1nc(CC=C)c(=O)[nH]c1CC=C.
What is the InChIKey of 3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one?
The InChIKey is WERBVESXXGIHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-7-10-11(8-5-2)15-13(16)12(14-10)9-6-3/h4-6H,1-3,7-9H2,(H,15,16).
What are the key properties of 3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one?
3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-tris(prop-2-enyl)-1H-pyrazin-2-one is sourced from PubChem (CID 67894433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).