2-(3-amino-2-ethoxypropyl)phthalazin-1-one

C13H17N3O2 — CID 55147039

IUPAC2-(3-amino-2-ethoxypropyl)phthalazin-1-one
SMILESCCOC(CN)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C13H17N3O2/c1-2-18-11(7-14)9-16-13(17)12-6-4-3-5-10(12)8-15-16/h3-6,8,11H,2,7,9,14H2,1H3
InChIKeyFJQOVSBVAUWWFJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.76
Rot. Bonds5

About 2-(3-amino-2-ethoxypropyl)phthalazin-1-one

2-(3-amino-2-ethoxypropyl)phthalazin-1-one (PubChem CID 55147039) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)phthalazin-1-one
PubChem CID55147039
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(3-amino-2-ethoxypropyl)phthalazin-1-one
SMILESCCOC(CN)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C13H17N3O2/c1-2-18-11(7-14)9-16-13(17)12-6-4-3-5-10(12)8-15-16/h3-6,8,11H,2,7,9,14H2,1H3
InChIKeyFJQOVSBVAUWWFJ-UHFFFAOYSA-N
XLogP0.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropyl)phthalazin-1-one?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)phthalazin-1-one (CID 55147039) is 2-(3-amino-2-ethoxypropyl)phthalazin-1-one.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)phthalazin-1-one?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)phthalazin-1-one is CCOC(CN)Cn1ncc2ccccc2c1=O.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)phthalazin-1-one?
The InChIKey is FJQOVSBVAUWWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-18-11(7-14)9-16-13(17)12-6-4-3-5-10(12)8-15-16/h3-6,8,11H,2,7,9,14H2,1H3.
What are the key properties of 2-(3-amino-2-ethoxypropyl)phthalazin-1-one?
2-(3-amino-2-ethoxypropyl)phthalazin-1-one has a molecular weight of 247.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethoxypropyl)phthalazin-1-one is sourced from PubChem (CID 55147039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).