2-(3-methylphenyl)-4-phenyl-1,3,5-triazine

C16H13N3 — CID 134408534

IUPAC2-(3-methylphenyl)-4-phenyl-1,3,5-triazine
SMILESCc1cccc(-c2ncnc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H13N3/c1-12-6-5-9-14(10-12)16-18-11-17-15(19-16)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeySEWLFGHGZRLSFK-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.51
Rot. Bonds2

About 2-(3-methylphenyl)-4-phenyl-1,3,5-triazine

2-(3-methylphenyl)-4-phenyl-1,3,5-triazine (PubChem CID 134408534) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-phenyl-1,3,5-triazine
PubChem CID134408534
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-(3-methylphenyl)-4-phenyl-1,3,5-triazine
SMILESCc1cccc(-c2ncnc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H13N3/c1-12-6-5-9-14(10-12)16-18-11-17-15(19-16)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeySEWLFGHGZRLSFK-UHFFFAOYSA-N
XLogP3.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-methylphenyl)-4-phenyl-1,3,5-triazine (CID 134408534) is 2-(3-methylphenyl)-4-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-methylphenyl)-4-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-methylphenyl)-4-phenyl-1,3,5-triazine is Cc1cccc(-c2ncnc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-phenyl-1,3,5-triazine?
The InChIKey is SEWLFGHGZRLSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-12-6-5-9-14(10-12)16-18-11-17-15(19-16)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 2-(3-methylphenyl)-4-phenyl-1,3,5-triazine?
2-(3-methylphenyl)-4-phenyl-1,3,5-triazine has a molecular weight of 247.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-phenyl-1,3,5-triazine is sourced from PubChem (CID 134408534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).