4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one

C16H15N3O — CID 166829797

IUPAC4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one
SMILESCn1nc(-c2ccc(CN)cc2)c2ccccc2c1=O
InChIInChI=1S/C16H15N3O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)12-8-6-11(10-17)7-9-12/h2-9H,10,17H2,1H3
InChIKeyLVWDFILIOUQMQG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.06
Rot. Bonds2

About 4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one

4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one (PubChem CID 166829797) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one
PubChem CID166829797
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one
SMILESCn1nc(-c2ccc(CN)cc2)c2ccccc2c1=O
InChIInChI=1S/C16H15N3O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)12-8-6-11(10-17)7-9-12/h2-9H,10,17H2,1H3
InChIKeyLVWDFILIOUQMQG-UHFFFAOYSA-N
XLogP2.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one (CID 166829797) is 4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one is Cn1nc(-c2ccc(CN)cc2)c2ccccc2c1=O.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one?
The InChIKey is LVWDFILIOUQMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)12-8-6-11(10-17)7-9-12/h2-9H,10,17H2,1H3.
What are the key properties of 4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one?
4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one has a molecular weight of 265.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-2-methylphthalazin-1-one is sourced from PubChem (CID 166829797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).