2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

C24H24N6 — CID 11101352

IUPAC2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H24N6/c1-16-4-10-19(11-5-16)25-22-28-23(26-20-12-6-17(2)7-13-20)30-24(29-22)27-21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyIRUKRJUZAAWSSN-UHFFFAOYSA-N
MW396.50 g/mol
LogP6.03
Rot. Bonds6

About 2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 11101352) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID11101352
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H24N6/c1-16-4-10-19(11-5-16)25-22-28-23(26-20-12-6-17(2)7-13-20)30-24(29-22)27-21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyIRUKRJUZAAWSSN-UHFFFAOYSA-N
XLogP6.03
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 11101352) is 2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IRUKRJUZAAWSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-16-4-10-19(11-5-16)25-22-28-23(26-20-12-6-17(2)7-13-20)30-24(29-22)27-21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H3,25,26,27,28,29,30).
What are the key properties of 2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 396.50 g/mol, XLogP of 6.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11101352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).