4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one

C12H15N3O — CID 19898934

IUPAC4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one
SMILESCNCCn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C12H15N3O/c1-9-10-5-3-4-6-11(10)12(16)15(14-9)8-7-13-2/h3-6,13H,7-8H2,1-2H3
InChIKeyQCXKKZWMDKCEQR-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.92
Rot. Bonds3

About 4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one

4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one (PubChem CID 19898934) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one
PubChem CID19898934
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one
SMILESCNCCn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C12H15N3O/c1-9-10-5-3-4-6-11(10)12(16)15(14-9)8-7-13-2/h3-6,13H,7-8H2,1-2H3
InChIKeyQCXKKZWMDKCEQR-UHFFFAOYSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-4-methylphthalazin-1-one
CID 121199498
2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride
CID 3057183
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
4-methyl-2-(pyridin-1-ium-2-ylmethyl)phthalazin-1-one chloride
CID 110188168
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36511322

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one?
The IUPAC name of 4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one (CID 19898934) is 4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one?
The canonical SMILES for 4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one is CNCCn1nc(C)c2ccccc2c1=O.
What is the InChIKey of 4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one?
The InChIKey is QCXKKZWMDKCEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-10-5-3-4-6-11(10)12(16)15(14-9)8-7-13-2/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one?
4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one has a molecular weight of 217.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one is sourced from PubChem (CID 19898934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).