5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one

C18H15N3O2 — CID 135512307

IUPAC5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one
SMILESCCn1c(=O)c2ccccc2c2c(O)nc(-c3ccccc3)n21
InChIInChI=1S/C18H15N3O2/c1-2-20-18(23)14-11-7-6-10-13(14)15-17(22)19-16(21(15)20)12-8-4-3-5-9-12/h3-11,22H,2H2,1H3
InChIKeyHGDIPRPXSIMFJM-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.04
Rot. Bonds2

About 5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one

5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one (PubChem CID 135512307) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one.

Molecular Properties

Compound Name5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one
PubChem CID135512307
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one
SMILESCCn1c(=O)c2ccccc2c2c(O)nc(-c3ccccc3)n21
InChIInChI=1S/C18H15N3O2/c1-2-20-18(23)14-11-7-6-10-13(14)15-17(22)19-16(21(15)20)12-8-4-3-5-9-12/h3-11,22H,2H2,1H3
InChIKeyHGDIPRPXSIMFJM-UHFFFAOYSA-N
XLogP3.04
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one?
The IUPAC name of 5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one (CID 135512307) is 5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one.
What is the SMILES notation for 5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one?
The canonical SMILES for 5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one is CCn1c(=O)c2ccccc2c2c(O)nc(-c3ccccc3)n21.
What is the InChIKey of 5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one?
The InChIKey is HGDIPRPXSIMFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-20-18(23)14-11-7-6-10-13(14)15-17(22)19-16(21(15)20)12-8-4-3-5-9-12/h3-11,22H,2H2,1H3.
What are the key properties of 5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one?
5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one has a molecular weight of 305.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-hydroxy-3-phenylimidazo[5,1-a]phthalazin-6-one is sourced from PubChem (CID 135512307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).