5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine

C17H17N3 — CID 102265993

IUPAC5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine
SMILESCC1(C)N=C(c2ccccc2)NN=C1c1ccccc1
InChIInChI=1S/C17H17N3/c1-17(2)15(13-9-5-3-6-10-13)19-20-16(18-17)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,18,20)
InChIKeyXLXPJAGRKCFNGL-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.22
Rot. Bonds2

About 5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine

5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine (PubChem CID 102265993) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine.

Molecular Properties

Compound Name5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine
PubChem CID102265993
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine
SMILESCC1(C)N=C(c2ccccc2)NN=C1c1ccccc1
InChIInChI=1S/C17H17N3/c1-17(2)15(13-9-5-3-6-10-13)19-20-16(18-17)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,18,20)
InChIKeyXLXPJAGRKCFNGL-UHFFFAOYSA-N
XLogP3.22
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine?
The IUPAC name of 5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine (CID 102265993) is 5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine.
What is the SMILES notation for 5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine?
The canonical SMILES for 5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine is CC1(C)N=C(c2ccccc2)NN=C1c1ccccc1.
What is the InChIKey of 5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine?
The InChIKey is XLXPJAGRKCFNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-17(2)15(13-9-5-3-6-10-13)19-20-16(18-17)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,18,20).
What are the key properties of 5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine?
5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine has a molecular weight of 263.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine is sourced from PubChem (CID 102265993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).