bis(benzene-1,3-diol);4-chlorotriazine

C15H14ClN3O4 — CID 87216969

IUPACbis(benzene-1,3-diol);4-chlorotriazine
SMILESClc1ccnnn1.Oc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/2C6H6O2.C3H2ClN3/c2*7-5-2-1-3-6(8)4-5;4-3-1-2-5-7-6-3/h2*1-4,7-8H;1-2H
InChIKeyZBAUGCWHGLUORD-UHFFFAOYSA-N
MW335.75 g/mol
LogP2.72
Rot. Bonds

About bis(benzene-1,3-diol);4-chlorotriazine

bis(benzene-1,3-diol);4-chlorotriazine (PubChem CID 87216969) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is bis(benzene-1,3-diol);4-chlorotriazine.

Molecular Properties

Compound Namebis(benzene-1,3-diol);4-chlorotriazine
PubChem CID87216969
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Namebis(benzene-1,3-diol);4-chlorotriazine
SMILESClc1ccnnn1.Oc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/2C6H6O2.C3H2ClN3/c2*7-5-2-1-3-6(8)4-5;4-3-1-2-5-7-6-3/h2*1-4,7-8H;1-2H
InChIKeyZBAUGCWHGLUORD-UHFFFAOYSA-N
XLogP2.72
TPSA119.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(benzene-1,3-diol);4-chlorotriazine?
The IUPAC name of bis(benzene-1,3-diol);4-chlorotriazine (CID 87216969) is bis(benzene-1,3-diol);4-chlorotriazine.
What is the SMILES notation for bis(benzene-1,3-diol);4-chlorotriazine?
The canonical SMILES for bis(benzene-1,3-diol);4-chlorotriazine is Clc1ccnnn1.Oc1cccc(O)c1.Oc1cccc(O)c1.
What is the InChIKey of bis(benzene-1,3-diol);4-chlorotriazine?
The InChIKey is ZBAUGCWHGLUORD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O2.C3H2ClN3/c2*7-5-2-1-3-6(8)4-5;4-3-1-2-5-7-6-3/h2*1-4,7-8H;1-2H.
What are the key properties of bis(benzene-1,3-diol);4-chlorotriazine?
bis(benzene-1,3-diol);4-chlorotriazine has a molecular weight of 335.75 g/mol, XLogP of 2.72, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzene-1,3-diol);4-chlorotriazine is sourced from PubChem (CID 87216969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).