2-(2-aminoethyl)-4-methylphthalazin-1-one

C11H13N3O — CID 121199498

IUPAC2-(2-aminoethyl)-4-methylphthalazin-1-one
SMILESCc1nn(CCN)c(=O)c2ccccc12
InChIInChI=1S/C11H13N3O/c1-8-9-4-2-3-5-10(9)11(15)14(13-8)7-6-12/h2-5H,6-7,12H2,1H3
InChIKeyNKCZUIBKPMIARI-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.66
Rot. Bonds2

About 2-(2-aminoethyl)-4-methylphthalazin-1-one

2-(2-aminoethyl)-4-methylphthalazin-1-one (PubChem CID 121199498) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-methylphthalazin-1-one
PubChem CID121199498
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(2-aminoethyl)-4-methylphthalazin-1-one
SMILESCc1nn(CCN)c(=O)c2ccccc12
InChIInChI=1S/C11H13N3O/c1-8-9-4-2-3-5-10(9)11(15)14(13-8)7-6-12/h2-5H,6-7,12H2,1H3
InChIKeyNKCZUIBKPMIARI-UHFFFAOYSA-N
XLogP0.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminoethyl)-4-methylphthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[2-(methylamino)ethyl]phthalazin-1-one
CID 19898934
2-(2-aminoethyl)-4-chlorophthalazin-1-one
CID 82391903
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
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one
CID 51728787
4-methyl-2-(pyridin-1-ium-2-ylmethyl)phthalazin-1-one chloride
CID 110188168
2-[4-[2-(aminomethyl)phenyl]-2-hydroxybutyl]-4-methylphthalazin-1-one
CID 145365311
2-(7-methoxy-3-methylindazol-1-yl)ethanamine
CID 84673302
4-(aminomethyl)-2-ethylphthalazin-1-one
CID 819195
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-methylphthalazin-1-one?
The IUPAC name of 2-(2-aminoethyl)-4-methylphthalazin-1-one (CID 121199498) is 2-(2-aminoethyl)-4-methylphthalazin-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-methylphthalazin-1-one?
The canonical SMILES for 2-(2-aminoethyl)-4-methylphthalazin-1-one is Cc1nn(CCN)c(=O)c2ccccc12.
What is the InChIKey of 2-(2-aminoethyl)-4-methylphthalazin-1-one?
The InChIKey is NKCZUIBKPMIARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-9-4-2-3-5-10(9)11(15)14(13-8)7-6-12/h2-5H,6-7,12H2,1H3.
What are the key properties of 2-(2-aminoethyl)-4-methylphthalazin-1-one?
2-(2-aminoethyl)-4-methylphthalazin-1-one has a molecular weight of 203.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-methylphthalazin-1-one is sourced from PubChem (CID 121199498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).