2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine

C9H9N3 — CID 156562077

IUPAC2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine
SMILESC=C=Cc1nc(C)nc(C=C)n1
InChIInChI=1S/C9H9N3/c1-4-6-9-11-7(3)10-8(5-2)12-9/h5-6H,1-2H2,3H3
InChIKeyIIWYBNQYEDYOLW-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.62
Rot. Bonds2

About 2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine

2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine (PubChem CID 156562077) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine.

Molecular Properties

Compound Name2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine
PubChem CID156562077
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine
SMILESC=C=Cc1nc(C)nc(C=C)n1
InChIInChI=1S/C9H9N3/c1-4-6-9-11-7(3)10-8(5-2)12-9/h5-6H,1-2H2,3H3
InChIKeyIIWYBNQYEDYOLW-UHFFFAOYSA-N
XLogP1.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine?
The IUPAC name of 2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine (CID 156562077) is 2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine.
What is the SMILES notation for 2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine?
The canonical SMILES for 2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine is C=C=Cc1nc(C)nc(C=C)n1.
What is the InChIKey of 2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine?
The InChIKey is IIWYBNQYEDYOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-4-6-9-11-7(3)10-8(5-2)12-9/h5-6H,1-2H2,3H3.
What are the key properties of 2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine?
2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine has a molecular weight of 159.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methyl-6-propa-1,2-dienyl-1,3,5-triazine is sourced from PubChem (CID 156562077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).