2-Chloro-4,6-di-p-tolyl-1,3,5-triazine

C17H14ClN3 — CID 30851

IUPAC2-chloro-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCC1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=C(C=C3)C
InChIInChI=1S/C17H14ClN3/c1-11-3-7-13(8-4-11)15-19-16(21-17(18)20-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyLPSLMIOUKRPZDC-UHFFFAOYSA-N
MW295.80 g/mol
LogP5.00
Rot. Bonds2

About 2-Chloro-4,6-di-p-tolyl-1,3,5-triazine

2-Chloro-4,6-di-p-tolyl-1,3,5-triazine (PubChem CID 30851) has the molecular formula C17H14ClN3 and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-chloro-4,6-bis(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-Chloro-4,6-di-p-tolyl-1,3,5-triazine
PubChem CID30851
Molecular FormulaC17H14ClN3
Molecular Weight295.80 g/mol
Exact Mass295.09
IUPAC Name2-chloro-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCC1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=C(C=C3)C
InChIInChI=1S/C17H14ClN3/c1-11-3-7-13(8-4-11)15-19-16(21-17(18)20-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyLPSLMIOUKRPZDC-UHFFFAOYSA-N
XLogP5.00
TPSA38.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity292

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoguanamine
CID 7064
Kyaphenine
CID 10305
6-(3-Methylphenyl)-1,3,5-triazine-2,4-diamine
CID 273487
1,3,5-Triazine-2,4-diamine, 6-phenyl-N,N,N',N'-tetramethyl-
CID 150777
2-(Dichloromethyl)-4-(4-methylphenyl)-6-(methylthio)-1,3,5-triazine
CID 3380841
2-Methyl-4,6-diphenyl-1,3,5-triazine
CID 19196
1,3,5-Triazine-2,4-diamine, 6-(4-tert-butylphenyl)-
CID 615135
2,4-Dichloro-6-phenyl-1,3,5-triazine
CID 15549
2-Chloro-4,6-diphenyl-1,3,5-triazine
CID 19698
2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine
CID 11390103
6-(3-Fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852432
4,6-Bis(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 35246

Frequently Asked Questions

What is the IUPAC name of 2-Chloro-4,6-di-p-tolyl-1,3,5-triazine?
The IUPAC name of 2-Chloro-4,6-di-p-tolyl-1,3,5-triazine (CID 30851) is 2-chloro-4,6-bis(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-Chloro-4,6-di-p-tolyl-1,3,5-triazine?
The canonical SMILES for 2-Chloro-4,6-di-p-tolyl-1,3,5-triazine is CC1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=C(C=C3)C.
What is the InChIKey of 2-Chloro-4,6-di-p-tolyl-1,3,5-triazine?
The InChIKey is LPSLMIOUKRPZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-11-3-7-13(8-4-11)15-19-16(21-17(18)20-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 2-Chloro-4,6-di-p-tolyl-1,3,5-triazine?
2-Chloro-4,6-di-p-tolyl-1,3,5-triazine has a molecular weight of 295.80 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chloro-4,6-di-p-tolyl-1,3,5-triazine is sourced from PubChem (CID 30851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).