2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one

C16H15N3O — CID 16782938

IUPAC2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one
SMILESNCc1ccccc1Cn1ncc2ccccc2c1=O
InChIInChI=1S/C16H15N3O/c17-9-12-5-1-2-7-14(12)11-19-16(20)15-8-4-3-6-13(15)10-18-19/h1-8,10H,9,11,17H2
InChIKeyKHCAUYICIJLEIC-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.90
Rot. Bonds3

About 2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one

2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one (PubChem CID 16782938) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one
PubChem CID16782938
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one
SMILESNCc1ccccc1Cn1ncc2ccccc2c1=O
InChIInChI=1S/C16H15N3O/c17-9-12-5-1-2-7-14(12)11-19-16(20)15-8-4-3-6-13(15)10-18-19/h1-8,10H,9,11,17H2
InChIKeyKHCAUYICIJLEIC-UHFFFAOYSA-N
XLogP1.90
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one?
The IUPAC name of 2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one (CID 16782938) is 2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one.
What is the SMILES notation for 2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one?
The canonical SMILES for 2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one is NCc1ccccc1Cn1ncc2ccccc2c1=O.
What is the InChIKey of 2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one?
The InChIKey is KHCAUYICIJLEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-9-12-5-1-2-7-14(12)11-19-16(20)15-8-4-3-6-13(15)10-18-19/h1-8,10H,9,11,17H2.
What are the key properties of 2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one?
2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one has a molecular weight of 265.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one is sourced from PubChem (CID 16782938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).