2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride

C15H22ClN3O — CID 3057183

IUPAC2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride
SMILESCCN(CC)CCn1nc(C)c2ccccc2c1=O.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-4-17(5-2)10-11-18-15(19)14-9-7-6-8-13(14)12(3)16-18;/h6-9H,4-5,10-11H2,1-3H3;1H
InChIKeyZDRZWEUJHZQJNG-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.47
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride

2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride (PubChem CID 3057183) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride
PubChem CID3057183
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride
SMILESCCN(CC)CCn1nc(C)c2ccccc2c1=O.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-4-17(5-2)10-11-18-15(19)14-9-7-6-8-13(14)12(3)16-18;/h6-9H,4-5,10-11H2,1-3H3;1H
InChIKeyZDRZWEUJHZQJNG-UHFFFAOYSA-N
XLogP2.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one
CID 3529139
2-(2-aminoethyl)-4-methylphthalazin-1-one
CID 121199498
4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one
CID 19898934
4-[(4-butoxyphenyl)methyl]-2-[2-(diethylamino)ethyl]phthalazin-1-one
CID 3057180
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
CID 23332746
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 15154348
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55932224
6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 3039782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride?
The IUPAC name of 2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride (CID 3057183) is 2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride is CCN(CC)CCn1nc(C)c2ccccc2c1=O.Cl.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride?
The InChIKey is ZDRZWEUJHZQJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c1-4-17(5-2)10-11-18-15(19)14-9-7-6-8-13(14)12(3)16-18;/h6-9H,4-5,10-11H2,1-3H3;1H.
What are the key properties of 2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride?
2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride is sourced from PubChem (CID 3057183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).