2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine

C12H14N6 — CID 78200906

IUPAC2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(C=Cc2nc(C)nc(C)n2)n1
InChIInChI=1S/C12H14N6/c1-7-13-8(2)16-11(15-7)5-6-12-17-9(3)14-10(4)18-12/h5-6H,1-4H3
InChIKeyBZOSHADTWMIYQV-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.46
Rot. Bonds2

About 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine

2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine (PubChem CID 78200906) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine
PubChem CID78200906
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(C=Cc2nc(C)nc(C)n2)n1
InChIInChI=1S/C12H14N6/c1-7-13-8(2)16-11(15-7)5-6-12-17-9(3)14-10(4)18-12/h5-6H,1-4H3
InChIKeyBZOSHADTWMIYQV-UHFFFAOYSA-N
XLogP1.46
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine?
The IUPAC name of 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine (CID 78200906) is 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine is Cc1nc(C)nc(C=Cc2nc(C)nc(C)n2)n1.
What is the InChIKey of 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine?
The InChIKey is BZOSHADTWMIYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-7-13-8(2)16-11(15-7)5-6-12-17-9(3)14-10(4)18-12/h5-6H,1-4H3.
What are the key properties of 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine?
2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine has a molecular weight of 242.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-4,6-dimethyl-1,3,5-triazine is sourced from PubChem (CID 78200906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).