2-benzyl-4-methyl-1,3,5-triazine

C11H11N3 — CID 76608302

IUPAC2-benzyl-4-methyl-1,3,5-triazine
SMILESCc1ncnc(Cc2ccccc2)n1
InChIInChI=1S/C11H11N3/c1-9-12-8-13-11(14-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyWTFHMNPMZHZJBD-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.77
Rot. Bonds2

About 2-benzyl-4-methyl-1,3,5-triazine

2-benzyl-4-methyl-1,3,5-triazine (PubChem CID 76608302) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-benzyl-4-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-benzyl-4-methyl-1,3,5-triazine
PubChem CID76608302
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-benzyl-4-methyl-1,3,5-triazine
SMILESCc1ncnc(Cc2ccccc2)n1
InChIInChI=1S/C11H11N3/c1-9-12-8-13-11(14-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyWTFHMNPMZHZJBD-UHFFFAOYSA-N
XLogP1.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-1,3,5-triazine?
The IUPAC name of 2-benzyl-4-methyl-1,3,5-triazine (CID 76608302) is 2-benzyl-4-methyl-1,3,5-triazine.
What is the SMILES notation for 2-benzyl-4-methyl-1,3,5-triazine?
The canonical SMILES for 2-benzyl-4-methyl-1,3,5-triazine is Cc1ncnc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-4-methyl-1,3,5-triazine?
The InChIKey is WTFHMNPMZHZJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-9-12-8-13-11(14-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-benzyl-4-methyl-1,3,5-triazine?
2-benzyl-4-methyl-1,3,5-triazine has a molecular weight of 185.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-1,3,5-triazine is sourced from PubChem (CID 76608302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).