2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine

C6H6N6 — CID 89329930

IUPAC2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine
SMILESC1=NCN=C(c2ncncn2)N1
InChIInChI=1S/C6H6N6/c1-7-2-10-5(9-1)6-11-3-8-4-12-6/h1-3H,4H2,(H,8,11,12)
InChIKeyJYFPGRBJSXBGIS-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.79
Rot. Bonds1

About 2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine

2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine (PubChem CID 89329930) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine
PubChem CID89329930
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine
SMILESC1=NCN=C(c2ncncn2)N1
InChIInChI=1S/C6H6N6/c1-7-2-10-5(9-1)6-11-3-8-4-12-6/h1-3H,4H2,(H,8,11,12)
InChIKeyJYFPGRBJSXBGIS-UHFFFAOYSA-N
XLogP-0.79
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine (CID 89329930) is 2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine is C1=NCN=C(c2ncncn2)N1.
What is the InChIKey of 2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine?
The InChIKey is JYFPGRBJSXBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6/c1-7-2-10-5(9-1)6-11-3-8-4-12-6/h1-3H,4H2,(H,8,11,12).
What are the key properties of 2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine?
2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine has a molecular weight of 162.16 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dihydro-1,3,5-triazin-2-yl)-1,3,5-triazine is sourced from PubChem (CID 89329930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).