3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine

C16H17N3 — CID 118534163

IUPAC3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine
SMILESCN1CN=C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C16H17N3/c1-19-12-17-15(13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
InChIKeyAKOQMRUYBLJEKI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.62
Rot. Bonds2

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

3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 118534163) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine
PubChem CID118534163
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine
SMILESCN1CN=C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C16H17N3/c1-19-12-17-15(13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
InChIKeyAKOQMRUYBLJEKI-UHFFFAOYSA-N
XLogP2.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine (CID 118534163) is 3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine is CN1CN=C(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of 3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is AKOQMRUYBLJEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-19-12-17-15(13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18).
What are the key properties of 3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine?
3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 251.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-diphenyl-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 118534163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).