4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C12H19N3O — CID 59751918

IUPAC4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCCN(C)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C12H19N3O/c1-3-15(2)8-11-9-6-4-5-7-10(9)12(16)14-13-11/h3-8H2,1-2H3,(H,14,16)
InChIKeyWGSFZPBLJNVSDL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.10
Rot. Bonds3

About 4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 59751918) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID59751918
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCCN(C)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C12H19N3O/c1-3-15(2)8-11-9-6-4-5-7-10(9)12(16)14-13-11/h3-8H2,1-2H3,(H,14,16)
InChIKeyWGSFZPBLJNVSDL-UHFFFAOYSA-N
XLogP1.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 59751918) is 4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is CCN(C)Cc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is WGSFZPBLJNVSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(2)8-11-9-6-4-5-7-10(9)12(16)14-13-11/h3-8H2,1-2H3,(H,14,16).
What are the key properties of 4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 59751918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).