4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one

C12H15N3O3 — CID 10332286

IUPAC4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one
SMILESCNCC(O)COc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H15N3O3/c1-13-6-8(16)7-18-12-10-5-3-2-4-9(10)11(17)14-15-12/h2-5,8,13,16H,6-7H2,1H3,(H,14,17)
InChIKeyASDLNZPDVOHSCZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.12
Rot. Bonds5

About 4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one

4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one (PubChem CID 10332286) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one
PubChem CID10332286
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one
SMILESCNCC(O)COc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H15N3O3/c1-13-6-8(16)7-18-12-10-5-3-2-4-9(10)11(17)14-15-12/h2-5,8,13,16H,6-7H2,1H3,(H,14,17)
InChIKeyASDLNZPDVOHSCZ-UHFFFAOYSA-N
XLogP-0.12
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one
CID 10379234
4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one
CID 143044029
2-[(4-oxo-3H-phthalazin-1-yl)oxymethyl]anthracene-9,10-dione
CID 102150809
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 103877423
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-(4-benzylphenoxy)-3-(methylamino)propan-2-ol
CID 62274722
4-(2,4,6-trimethylphenoxy)-2H-phthalazin-1-one
CID 135074583
4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
CID 15358728
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 107261147
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
4-(4-amino-2,6-dimethylphenoxy)-2H-phthalazin-1-one
CID 177195948

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one?
The IUPAC name of 4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one (CID 10332286) is 4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one is CNCC(O)COc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one?
The InChIKey is ASDLNZPDVOHSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-13-6-8(16)7-18-12-10-5-3-2-4-9(10)11(17)14-15-12/h2-5,8,13,16H,6-7H2,1H3,(H,14,17).
What are the key properties of 4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one?
4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one has a molecular weight of 249.27 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one is sourced from PubChem (CID 10332286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).