4-[(dimethylamino)methyl]-2H-phthalazin-1-one

C11H13N3O — CID 1482313

IUPAC4-[(dimethylamino)methyl]-2H-phthalazin-1-one
SMILESCN(C)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C11H13N3O/c1-14(2)7-10-8-5-3-4-6-9(8)11(15)13-12-10/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyGOMHKKWAFSAOHR-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.98
Rot. Bonds2

About 4-[(dimethylamino)methyl]-2H-phthalazin-1-one

4-[(dimethylamino)methyl]-2H-phthalazin-1-one (PubChem CID 1482313) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2H-phthalazin-1-one
PubChem CID1482313
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-[(dimethylamino)methyl]-2H-phthalazin-1-one
SMILESCN(C)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C11H13N3O/c1-14(2)7-10-8-5-3-4-6-9(8)11(15)13-12-10/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyGOMHKKWAFSAOHR-UHFFFAOYSA-N
XLogP0.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(dimethylamino)methyl]-2H-phthalazin-1-one (CID 1482313) is 4-[(dimethylamino)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(dimethylamino)methyl]-2H-phthalazin-1-one is CN(C)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-[(dimethylamino)methyl]-2H-phthalazin-1-one?
The InChIKey is GOMHKKWAFSAOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14(2)7-10-8-5-3-4-6-9(8)11(15)13-12-10/h3-6H,7H2,1-2H3,(H,13,15).
What are the key properties of 4-[(dimethylamino)methyl]-2H-phthalazin-1-one?
4-[(dimethylamino)methyl]-2H-phthalazin-1-one has a molecular weight of 203.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 1482313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).