benzene-1,3-diol;triazine

C9H9N3O2 — CID 22987155

IUPACbenzene-1,3-diol;triazine
SMILESOc1cccc(O)c1.c1cnnnc1
InChIInChI=1S/C6H6O2.C3H3N3/c7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h1-4,7-8H;1-3H
InChIKeyCCTKOWFDSRRQEG-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.97
Rot. Bonds

About benzene-1,3-diol;triazine

benzene-1,3-diol;triazine (PubChem CID 22987155) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is benzene-1,3-diol;triazine.

Molecular Properties

Compound Namebenzene-1,3-diol;triazine
PubChem CID22987155
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namebenzene-1,3-diol;triazine
SMILESOc1cccc(O)c1.c1cnnnc1
InChIInChI=1S/C6H6O2.C3H3N3/c7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h1-4,7-8H;1-3H
InChIKeyCCTKOWFDSRRQEG-UHFFFAOYSA-N
XLogP0.97
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;triazine?
The IUPAC name of benzene-1,3-diol;triazine (CID 22987155) is benzene-1,3-diol;triazine.
What is the SMILES notation for benzene-1,3-diol;triazine?
The canonical SMILES for benzene-1,3-diol;triazine is Oc1cccc(O)c1.c1cnnnc1.
What is the InChIKey of benzene-1,3-diol;triazine?
The InChIKey is CCTKOWFDSRRQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C3H3N3/c7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h1-4,7-8H;1-3H.
What are the key properties of benzene-1,3-diol;triazine?
benzene-1,3-diol;triazine has a molecular weight of 191.19 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;triazine is sourced from PubChem (CID 22987155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).