phthalazine-5,6-diol

C8H6N2O2 — CID 137192823

IUPACphthalazine-5,6-diol
SMILESOc1ccc2cnncc2c1O
InChIInChI=1S/C8H6N2O2/c11-7-2-1-5-3-9-10-4-6(5)8(7)12/h1-4,11-12H
InChIKeyBVWQZTCPONXVHO-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.04
Rot. Bonds

About phthalazine-5,6-diol

phthalazine-5,6-diol (PubChem CID 137192823) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is phthalazine-5,6-diol.

Molecular Properties

Compound Namephthalazine-5,6-diol
PubChem CID137192823
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Namephthalazine-5,6-diol
SMILESOc1ccc2cnncc2c1O
InChIInChI=1S/C8H6N2O2/c11-7-2-1-5-3-9-10-4-6(5)8(7)12/h1-4,11-12H
InChIKeyBVWQZTCPONXVHO-UHFFFAOYSA-N
XLogP1.04
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phthalazine-5,6-diol?
The IUPAC name of phthalazine-5,6-diol (CID 137192823) is phthalazine-5,6-diol.
What is the SMILES notation for phthalazine-5,6-diol?
The canonical SMILES for phthalazine-5,6-diol is Oc1ccc2cnncc2c1O.
What is the InChIKey of phthalazine-5,6-diol?
The InChIKey is BVWQZTCPONXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-7-2-1-5-3-9-10-4-6(5)8(7)12/h1-4,11-12H.
What are the key properties of phthalazine-5,6-diol?
phthalazine-5,6-diol has a molecular weight of 162.15 g/mol, XLogP of 1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phthalazine-5,6-diol is sourced from PubChem (CID 137192823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).