tris(benzene-1,3-diol);triazine

C21H21N3O6 — CID 66962766

IUPACtris(benzene-1,3-diol);triazine
SMILESOc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.c1cnnnc1
InChIInChI=1S/3C6H6O2.C3H3N3/c3*7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h3*1-4,7-8H;1-3H
InChIKeyCFRVBQLYRYZMFI-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.16
Rot. Bonds

About tris(benzene-1,3-diol);triazine

tris(benzene-1,3-diol);triazine (PubChem CID 66962766) has the molecular formula C21H21N3O6 and a molecular weight of 411.41 g/mol. Its IUPAC name is tris(benzene-1,3-diol);triazine.

Molecular Properties

Compound Nametris(benzene-1,3-diol);triazine
PubChem CID66962766
Molecular FormulaC21H21N3O6
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Nametris(benzene-1,3-diol);triazine
SMILESOc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.c1cnnnc1
InChIInChI=1S/3C6H6O2.C3H3N3/c3*7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h3*1-4,7-8H;1-3H
InChIKeyCFRVBQLYRYZMFI-UHFFFAOYSA-N
XLogP3.16
TPSA160.05 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.41
LogP ≤ 53.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze tris(benzene-1,3-diol);triazine 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 tris(benzene-1,3-diol);triazine?
The IUPAC name of tris(benzene-1,3-diol);triazine (CID 66962766) is tris(benzene-1,3-diol);triazine.
What is the SMILES notation for tris(benzene-1,3-diol);triazine?
The canonical SMILES for tris(benzene-1,3-diol);triazine is Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.c1cnnnc1.
What is the InChIKey of tris(benzene-1,3-diol);triazine?
The InChIKey is CFRVBQLYRYZMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6O2.C3H3N3/c3*7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h3*1-4,7-8H;1-3H.
What are the key properties of tris(benzene-1,3-diol);triazine?
tris(benzene-1,3-diol);triazine has a molecular weight of 411.41 g/mol, XLogP of 3.16, 0 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(benzene-1,3-diol);triazine is sourced from PubChem (CID 66962766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).