2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine

C9H9N3 — CID 22336442

IUPAC2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine
SMILESC1=CCC(c2ncncn2)C=C1
InChIInChI=1S/C9H9N3/c1-2-4-8(5-3-1)9-11-6-10-7-12-9/h1-4,6-8H,5H2
InChIKeyHDEPGWSRYFJKLS-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.47
Rot. Bonds1

About 2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine

2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine (PubChem CID 22336442) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine
PubChem CID22336442
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine
SMILESC1=CCC(c2ncncn2)C=C1
InChIInChI=1S/C9H9N3/c1-2-4-8(5-3-1)9-11-6-10-7-12-9/h1-4,6-8H,5H2
InChIKeyHDEPGWSRYFJKLS-UHFFFAOYSA-N
XLogP1.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine (CID 22336442) is 2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine is C1=CCC(c2ncncn2)C=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine?
The InChIKey is HDEPGWSRYFJKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-4-8(5-3-1)9-11-6-10-7-12-9/h1-4,6-8H,5H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine?
2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine has a molecular weight of 159.19 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-1,3,5-triazine is sourced from PubChem (CID 22336442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).