4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one

C15H13N3O3 — CID 143044029

IUPAC4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(OCc2cccc(CO)n2)c2ccccc12
InChIInChI=1S/C15H13N3O3/c19-8-10-4-3-5-11(16-10)9-21-15-13-7-2-1-6-12(13)14(20)17-18-15/h1-7,19H,8-9H2,(H,17,20)
InChIKeyXSDKKXQMVRFJNI-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.39
Rot. Bonds4

About 4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one

4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one (PubChem CID 143044029) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one
PubChem CID143044029
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(OCc2cccc(CO)n2)c2ccccc12
InChIInChI=1S/C15H13N3O3/c19-8-10-4-3-5-11(16-10)9-21-15-13-7-2-1-6-12(13)14(20)17-18-15/h1-7,19H,8-9H2,(H,17,20)
InChIKeyXSDKKXQMVRFJNI-UHFFFAOYSA-N
XLogP1.39
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-[(2-phenylethylamino)methyl]-2-pyridinyl]methoxy]-2H-phthalazin-1-one
CID 11211360
2-[(4-oxo-3H-phthalazin-1-yl)oxymethyl]anthracene-9,10-dione
CID 102150809
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one
CID 10332286
4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
CID 15358728
silver 4-oxo-3H-phthalazin-1-olate
CID 90482828
4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one
CID 10379234
(4-oxo-3H-phthalazin-1-yl)methyl nitrate
CID 11775671
4-(2,4,6-trimethylphenoxy)-2H-phthalazin-1-one
CID 135074583
[3-[(4-oxo-3H-phthalazine-1-carbonyl)oxymethyl]phenyl]methyl 4-oxo-3H-phthalazine-1-carboxylate
CID 30824495
2-hydroxyethyl 4-oxo-3H-phthalazine-1-carboxylate
CID 47013841
(2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 2466498

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one?
The IUPAC name of 4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one (CID 143044029) is 4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one?
The canonical SMILES for 4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one is O=c1[nH]nc(OCc2cccc(CO)n2)c2ccccc12.
What is the InChIKey of 4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one?
The InChIKey is XSDKKXQMVRFJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-8-10-4-3-5-11(16-10)9-21-15-13-7-2-1-6-12(13)14(20)17-18-15/h1-7,19H,8-9H2,(H,17,20).
What are the key properties of 4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one?
4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one has a molecular weight of 283.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(hydroxymethyl)-2-pyridinyl]methoxy]-2H-phthalazin-1-one is sourced from PubChem (CID 143044029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).