4-(2-hydroxyethyl)-4H-phthalazin-1-one

C10H10N2O2 — CID 19957086

IUPAC4-(2-hydroxyethyl)-4H-phthalazin-1-one
SMILESO=C1N=NC(CCO)c2ccccc21
InChIInChI=1S/C10H10N2O2/c13-6-5-9-7-3-1-2-4-8(7)10(14)12-11-9/h1-4,9,13H,5-6H2
InChIKeySTNQIJPZGGYKOD-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.72
Rot. Bonds2

About 4-(2-hydroxyethyl)-4H-phthalazin-1-one

4-(2-hydroxyethyl)-4H-phthalazin-1-one (PubChem CID 19957086) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-4H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-4H-phthalazin-1-one
PubChem CID19957086
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-(2-hydroxyethyl)-4H-phthalazin-1-one
SMILESO=C1N=NC(CCO)c2ccccc21
InChIInChI=1S/C10H10N2O2/c13-6-5-9-7-3-1-2-4-8(7)10(14)12-11-9/h1-4,9,13H,5-6H2
InChIKeySTNQIJPZGGYKOD-UHFFFAOYSA-N
XLogP1.72
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-4H-phthalazin-1-one?
The IUPAC name of 4-(2-hydroxyethyl)-4H-phthalazin-1-one (CID 19957086) is 4-(2-hydroxyethyl)-4H-phthalazin-1-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-4H-phthalazin-1-one?
The canonical SMILES for 4-(2-hydroxyethyl)-4H-phthalazin-1-one is O=C1N=NC(CCO)c2ccccc21.
What is the InChIKey of 4-(2-hydroxyethyl)-4H-phthalazin-1-one?
The InChIKey is STNQIJPZGGYKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-6-5-9-7-3-1-2-4-8(7)10(14)12-11-9/h1-4,9,13H,5-6H2.
What are the key properties of 4-(2-hydroxyethyl)-4H-phthalazin-1-one?
4-(2-hydroxyethyl)-4H-phthalazin-1-one has a molecular weight of 190.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-4H-phthalazin-1-one is sourced from PubChem (CID 19957086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).