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

C11H13N3O — CID 819195

IUPAC4-(aminomethyl)-2-ethylphthalazin-1-one
SMILESCCn1nc(CN)c2ccccc2c1=O
InChIInChI=1S/C11H13N3O/c1-2-14-11(15)9-6-4-3-5-8(9)10(7-12)13-14/h3-6H,2,7,12H2,1H3
InChIKeyLGZOFMZZRAQWFX-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.88
Rot. Bonds2

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

4-(aminomethyl)-2-ethylphthalazin-1-one (PubChem CID 819195) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethylphthalazin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethylphthalazin-1-one
PubChem CID819195
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(aminomethyl)-2-ethylphthalazin-1-one
SMILESCCn1nc(CN)c2ccccc2c1=O
InChIInChI=1S/C11H13N3O/c1-2-14-11(15)9-6-4-3-5-8(9)10(7-12)13-14/h3-6H,2,7,12H2,1H3
InChIKeyLGZOFMZZRAQWFX-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-2-ethylphthalazin-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-ethylphthalazin-1-one?
The IUPAC name of 4-(aminomethyl)-2-ethylphthalazin-1-one (CID 819195) is 4-(aminomethyl)-2-ethylphthalazin-1-one.
What is the SMILES notation for 4-(aminomethyl)-2-ethylphthalazin-1-one?
The canonical SMILES for 4-(aminomethyl)-2-ethylphthalazin-1-one is CCn1nc(CN)c2ccccc2c1=O.
What is the InChIKey of 4-(aminomethyl)-2-ethylphthalazin-1-one?
The InChIKey is LGZOFMZZRAQWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-14-11(15)9-6-4-3-5-8(9)10(7-12)13-14/h3-6H,2,7,12H2,1H3.
What are the key properties of 4-(aminomethyl)-2-ethylphthalazin-1-one?
4-(aminomethyl)-2-ethylphthalazin-1-one has a molecular weight of 203.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-ethylphthalazin-1-one is sourced from PubChem (CID 819195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).