2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine

C21H18N6 — CID 16084

IUPAC2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H18N6/c1-4-10-16(11-5-1)22-19-25-20(23-17-12-6-2-7-13-17)27-21(26-19)24-18-14-8-3-9-15-18/h1-15H,(H3,22,23,24,25,26,27)
InChIKeyGGHBKCSNURXPNB-UHFFFAOYSA-N
MW354.42 g/mol
LogP5.10
Rot. Bonds6

About 2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 16084) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID16084
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H18N6/c1-4-10-16(11-5-1)22-19-25-20(23-17-12-6-2-7-13-17)27-21(26-19)24-18-14-8-3-9-15-18/h1-15H,(H3,22,23,24,25,26,27)
InChIKeyGGHBKCSNURXPNB-UHFFFAOYSA-N
XLogP5.10
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.42
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine (CID 16084) is 2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine is c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GGHBKCSNURXPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-4-10-16(11-5-1)22-19-25-20(23-17-12-6-2-7-13-17)27-21(26-19)24-18-14-8-3-9-15-18/h1-15H,(H3,22,23,24,25,26,27).
What are the key properties of 2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-triphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 354.42 g/mol, XLogP of 5.10, 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-triphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 16084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).