benzene-1,3,5-triol;triazine

C9H9N3O3 — CID 175490671

IUPACbenzene-1,3,5-triol;triazine
SMILESOc1cc(O)cc(O)c1.c1cnnnc1
InChIInChI=1S/C6H6O3.C3H3N3/c7-4-1-5(8)3-6(9)2-4;1-2-4-6-5-3-1/h1-3,7-9H;1-3H
InChIKeyNVDGKRMCYBILOF-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.68
Rot. Bonds

About benzene-1,3,5-triol;triazine

benzene-1,3,5-triol;triazine (PubChem CID 175490671) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is benzene-1,3,5-triol;triazine.

Molecular Properties

Compound Namebenzene-1,3,5-triol;triazine
PubChem CID175490671
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Namebenzene-1,3,5-triol;triazine
SMILESOc1cc(O)cc(O)c1.c1cnnnc1
InChIInChI=1S/C6H6O3.C3H3N3/c7-4-1-5(8)3-6(9)2-4;1-2-4-6-5-3-1/h1-3,7-9H;1-3H
InChIKeyNVDGKRMCYBILOF-UHFFFAOYSA-N
XLogP0.68
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Benzene-1,3-diol;triazine
CID 22987155
Phenol;triazine
CID 66779684
2-Methylphenol;triazine
CID 66780120
Tris(benzene-1,3-diol);triazine
CID 66962766
benzene-1,3-diol;1H-pyrazole
CID 67065363
3-(Triazin-4-yloxy)phenol
CID 67610673
Cyanic acid;phenol;triazine
CID 67860683
Bis(benzene-1,3-diol);triazine
CID 68957411
Phenol;triazine
CID 69469766
Formaldehyde;phenol;triazine
CID 69677333
Bis(benzene-1,3-diol);4-chlorotriazine
CID 87216969
Benzene-1,3-diol;4-chlorotriazine
CID 88198010

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-triol;triazine?
The IUPAC name of benzene-1,3,5-triol;triazine (CID 175490671) is benzene-1,3,5-triol;triazine.
What is the SMILES notation for benzene-1,3,5-triol;triazine?
The canonical SMILES for benzene-1,3,5-triol;triazine is Oc1cc(O)cc(O)c1.c1cnnnc1.
What is the InChIKey of benzene-1,3,5-triol;triazine?
The InChIKey is NVDGKRMCYBILOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3.C3H3N3/c7-4-1-5(8)3-6(9)2-4;1-2-4-6-5-3-1/h1-3,7-9H;1-3H.
What are the key properties of benzene-1,3,5-triol;triazine?
benzene-1,3,5-triol;triazine has a molecular weight of 207.19 g/mol, XLogP of 0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-triol;triazine is sourced from PubChem (CID 175490671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).