4,5,6-tris(prop-2-enyl)triazine

C12H15N3 — CID 22450151

IUPAC4,5,6-tris(prop-2-enyl)triazine
SMILESC=CCc1nnnc(CC=C)c1CC=C
InChIInChI=1S/C12H15N3/c1-4-7-10-11(8-5-2)13-15-14-12(10)9-6-3/h4-6H,1-3,7-9H2
InChIKeyQUXCGNWDKCHBQI-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.06
Rot. Bonds6

About 4,5,6-tris(prop-2-enyl)triazine

4,5,6-tris(prop-2-enyl)triazine (PubChem CID 22450151) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4,5,6-tris(prop-2-enyl)triazine.

Molecular Properties

Compound Name4,5,6-tris(prop-2-enyl)triazine
PubChem CID22450151
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4,5,6-tris(prop-2-enyl)triazine
SMILESC=CCc1nnnc(CC=C)c1CC=C
InChIInChI=1S/C12H15N3/c1-4-7-10-11(8-5-2)13-15-14-12(10)9-6-3/h4-6H,1-3,7-9H2
InChIKeyQUXCGNWDKCHBQI-UHFFFAOYSA-N
XLogP2.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
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 4,5,6-tris(prop-2-enyl)triazine?
The IUPAC name of 4,5,6-tris(prop-2-enyl)triazine (CID 22450151) is 4,5,6-tris(prop-2-enyl)triazine.
What is the SMILES notation for 4,5,6-tris(prop-2-enyl)triazine?
The canonical SMILES for 4,5,6-tris(prop-2-enyl)triazine is C=CCc1nnnc(CC=C)c1CC=C.
What is the InChIKey of 4,5,6-tris(prop-2-enyl)triazine?
The InChIKey is QUXCGNWDKCHBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-4-7-10-11(8-5-2)13-15-14-12(10)9-6-3/h4-6H,1-3,7-9H2.
What are the key properties of 4,5,6-tris(prop-2-enyl)triazine?
4,5,6-tris(prop-2-enyl)triazine has a molecular weight of 201.27 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tris(prop-2-enyl)triazine is sourced from PubChem (CID 22450151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).