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

C10H11N3O — CID 589800

IUPAC4-(aminomethyl)-2-methylphthalazin-1-one
SMILESCn1nc(CN)c2ccccc2c1=O
InChIInChI=1S/C10H11N3O/c1-13-10(14)8-5-3-2-4-7(8)9(6-11)12-13/h2-5H,6,11H2,1H3
InChIKeyXXIJSLHCIXQDON-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.39
Rot. Bonds1

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

4-(aminomethyl)-2-methylphthalazin-1-one (PubChem CID 589800) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-methylphthalazin-1-one
PubChem CID589800
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(aminomethyl)-2-methylphthalazin-1-one
SMILESCn1nc(CN)c2ccccc2c1=O
InChIInChI=1S/C10H11N3O/c1-13-10(14)8-5-3-2-4-7(8)9(6-11)12-13/h2-5H,6,11H2,1H3
InChIKeyXXIJSLHCIXQDON-UHFFFAOYSA-N
XLogP0.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-2-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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methylphthalazin-1-one?
The IUPAC name of 4-(aminomethyl)-2-methylphthalazin-1-one (CID 589800) is 4-(aminomethyl)-2-methylphthalazin-1-one.
What is the SMILES notation for 4-(aminomethyl)-2-methylphthalazin-1-one?
The canonical SMILES for 4-(aminomethyl)-2-methylphthalazin-1-one is Cn1nc(CN)c2ccccc2c1=O.
What is the InChIKey of 4-(aminomethyl)-2-methylphthalazin-1-one?
The InChIKey is XXIJSLHCIXQDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-10(14)8-5-3-2-4-7(8)9(6-11)12-13/h2-5H,6,11H2,1H3.
What are the key properties of 4-(aminomethyl)-2-methylphthalazin-1-one?
4-(aminomethyl)-2-methylphthalazin-1-one has a molecular weight of 189.22 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methylphthalazin-1-one is sourced from PubChem (CID 589800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).