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

C15H15N3O4 — CID 68957411

IUPACbis(benzene-1,3-diol);triazine
SMILESOc1cccc(O)c1.Oc1cccc(O)c1.c1cnnnc1
InChIInChI=1S/2C6H6O2.C3H3N3/c2*7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h2*1-4,7-8H;1-3H
InChIKeyBWVVSADQOOQISG-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.07
Rot. Bonds

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

bis(benzene-1,3-diol);triazine (PubChem CID 68957411) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is bis(benzene-1,3-diol);triazine.

Molecular Properties

Compound Namebis(benzene-1,3-diol);triazine
PubChem CID68957411
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Namebis(benzene-1,3-diol);triazine
SMILESOc1cccc(O)c1.Oc1cccc(O)c1.c1cnnnc1
InChIInChI=1S/2C6H6O2.C3H3N3/c2*7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h2*1-4,7-8H;1-3H
InChIKeyBWVVSADQOOQISG-UHFFFAOYSA-N
XLogP2.07
TPSA119.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.07
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);triazine?
The IUPAC name of bis(benzene-1,3-diol);triazine (CID 68957411) is bis(benzene-1,3-diol);triazine.
What is the SMILES notation for bis(benzene-1,3-diol);triazine?
The canonical SMILES for bis(benzene-1,3-diol);triazine is Oc1cccc(O)c1.Oc1cccc(O)c1.c1cnnnc1.
What is the InChIKey of bis(benzene-1,3-diol);triazine?
The InChIKey is BWVVSADQOOQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O2.C3H3N3/c2*7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h2*1-4,7-8H;1-3H.
What are the key properties of bis(benzene-1,3-diol);triazine?
bis(benzene-1,3-diol);triazine has a molecular weight of 301.30 g/mol, XLogP of 2.07, 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);triazine is sourced from PubChem (CID 68957411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).