2-ethyl-8-hydroxyphthalazin-1-one

C10H10N2O2 — CID 125455301

IUPAC2-ethyl-8-hydroxyphthalazin-1-one
SMILESCCn1ncc2cccc(O)c2c1=O
InChIInChI=1S/C10H10N2O2/c1-2-12-10(14)9-7(6-11-12)4-3-5-8(9)13/h3-6,13H,2H2,1H3
InChIKeyANNBWLGVZKQEBV-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.12
Rot. Bonds1

About 2-ethyl-8-hydroxyphthalazin-1-one

2-ethyl-8-hydroxyphthalazin-1-one (PubChem CID 125455301) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-ethyl-8-hydroxyphthalazin-1-one.

Molecular Properties

Compound Name2-ethyl-8-hydroxyphthalazin-1-one
PubChem CID125455301
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-ethyl-8-hydroxyphthalazin-1-one
SMILESCCn1ncc2cccc(O)c2c1=O
InChIInChI=1S/C10H10N2O2/c1-2-12-10(14)9-7(6-11-12)4-3-5-8(9)13/h3-6,13H,2H2,1H3
InChIKeyANNBWLGVZKQEBV-UHFFFAOYSA-N
XLogP1.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-hydroxyphthalazin-1-one?
The IUPAC name of 2-ethyl-8-hydroxyphthalazin-1-one (CID 125455301) is 2-ethyl-8-hydroxyphthalazin-1-one.
What is the SMILES notation for 2-ethyl-8-hydroxyphthalazin-1-one?
The canonical SMILES for 2-ethyl-8-hydroxyphthalazin-1-one is CCn1ncc2cccc(O)c2c1=O.
What is the InChIKey of 2-ethyl-8-hydroxyphthalazin-1-one?
The InChIKey is ANNBWLGVZKQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-12-10(14)9-7(6-11-12)4-3-5-8(9)13/h3-6,13H,2H2,1H3.
What are the key properties of 2-ethyl-8-hydroxyphthalazin-1-one?
2-ethyl-8-hydroxyphthalazin-1-one has a molecular weight of 190.20 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-hydroxyphthalazin-1-one is sourced from PubChem (CID 125455301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).