1,3,5-tris(prop-2-enyl)-2H-pyrazine

C13H18N2 — CID 175714929

IUPAC1,3,5-tris(prop-2-enyl)-2H-pyrazine
SMILESC=CCC1=CN(CC=C)CC(CC=C)=N1
InChIInChI=1S/C13H18N2/c1-4-7-12-10-15(9-6-3)11-13(14-12)8-5-2/h4-6,10H,1-3,7-9,11H2
InChIKeyKDACDXBOGOBULI-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.92
Rot. Bonds6

About 1,3,5-tris(prop-2-enyl)-2H-pyrazine

1,3,5-tris(prop-2-enyl)-2H-pyrazine (PubChem CID 175714929) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,3,5-tris(prop-2-enyl)-2H-pyrazine.

Molecular Properties

Compound Name1,3,5-tris(prop-2-enyl)-2H-pyrazine
PubChem CID175714929
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1,3,5-tris(prop-2-enyl)-2H-pyrazine
SMILESC=CCC1=CN(CC=C)CC(CC=C)=N1
InChIInChI=1S/C13H18N2/c1-4-7-12-10-15(9-6-3)11-13(14-12)8-5-2/h4-6,10H,1-3,7-9,11H2
InChIKeyKDACDXBOGOBULI-UHFFFAOYSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
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 1,3,5-tris(prop-2-enyl)-2H-pyrazine?
The IUPAC name of 1,3,5-tris(prop-2-enyl)-2H-pyrazine (CID 175714929) is 1,3,5-tris(prop-2-enyl)-2H-pyrazine.
What is the SMILES notation for 1,3,5-tris(prop-2-enyl)-2H-pyrazine?
The canonical SMILES for 1,3,5-tris(prop-2-enyl)-2H-pyrazine is C=CCC1=CN(CC=C)CC(CC=C)=N1.
What is the InChIKey of 1,3,5-tris(prop-2-enyl)-2H-pyrazine?
The InChIKey is KDACDXBOGOBULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-7-12-10-15(9-6-3)11-13(14-12)8-5-2/h4-6,10H,1-3,7-9,11H2.
What are the key properties of 1,3,5-tris(prop-2-enyl)-2H-pyrazine?
1,3,5-tris(prop-2-enyl)-2H-pyrazine has a molecular weight of 202.30 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(prop-2-enyl)-2H-pyrazine is sourced from PubChem (CID 175714929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).