4,5,6-tris(ethenyl)triazine

C9H9N3 — CID 129313142

IUPAC4,5,6-tris(ethenyl)triazine
SMILESC=Cc1nnnc(C=C)c1C=C
InChIInChI=1S/C9H9N3/c1-4-7-8(5-2)10-12-11-9(7)6-3/h4-6H,1-3H2
InChIKeyHFRFOMDUZSHUPG-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.80
Rot. Bonds3

About 4,5,6-tris(ethenyl)triazine

4,5,6-tris(ethenyl)triazine (PubChem CID 129313142) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4,5,6-tris(ethenyl)triazine.

Molecular Properties

Compound Name4,5,6-tris(ethenyl)triazine
PubChem CID129313142
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name4,5,6-tris(ethenyl)triazine
SMILESC=Cc1nnnc(C=C)c1C=C
InChIInChI=1S/C9H9N3/c1-4-7-8(5-2)10-12-11-9(7)6-3/h4-6H,1-3H2
InChIKeyHFRFOMDUZSHUPG-UHFFFAOYSA-N
XLogP1.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-tris(ethenyl)triazine?
The IUPAC name of 4,5,6-tris(ethenyl)triazine (CID 129313142) is 4,5,6-tris(ethenyl)triazine.
What is the SMILES notation for 4,5,6-tris(ethenyl)triazine?
The canonical SMILES for 4,5,6-tris(ethenyl)triazine is C=Cc1nnnc(C=C)c1C=C.
What is the InChIKey of 4,5,6-tris(ethenyl)triazine?
The InChIKey is HFRFOMDUZSHUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-4-7-8(5-2)10-12-11-9(7)6-3/h4-6H,1-3H2.
What are the key properties of 4,5,6-tris(ethenyl)triazine?
4,5,6-tris(ethenyl)triazine has a molecular weight of 159.19 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tris(ethenyl)triazine is sourced from PubChem (CID 129313142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).