2-[2-(dimethylamino)ethyl]phthalazin-1-one

C12H15N3O — CID 3057188

IUPAC2-[2-(dimethylamino)ethyl]phthalazin-1-one
SMILESCN(C)CCn1ncc2ccccc2c1=O
InChIInChI=1S/C12H15N3O/c1-14(2)7-8-15-12(16)11-6-4-3-5-10(11)9-13-15/h3-6,9H,7-8H2,1-2H3
InChIKeyAFGHQNXDVFYWOK-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.96
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]phthalazin-1-one

2-[2-(dimethylamino)ethyl]phthalazin-1-one (PubChem CID 3057188) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]phthalazin-1-one
PubChem CID3057188
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[2-(dimethylamino)ethyl]phthalazin-1-one
SMILESCN(C)CCn1ncc2ccccc2c1=O
InChIInChI=1S/C12H15N3O/c1-14(2)7-8-15-12(16)11-6-4-3-5-10(11)9-13-15/h3-6,9H,7-8H2,1-2H3
InChIKeyAFGHQNXDVFYWOK-UHFFFAOYSA-N
XLogP0.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]phthalazin-1-one (CID 3057188) is 2-[2-(dimethylamino)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]phthalazin-1-one is CN(C)CCn1ncc2ccccc2c1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]phthalazin-1-one?
The InChIKey is AFGHQNXDVFYWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-14(2)7-8-15-12(16)11-6-4-3-5-10(11)9-13-15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]phthalazin-1-one?
2-[2-(dimethylamino)ethyl]phthalazin-1-one has a molecular weight of 217.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]phthalazin-1-one is sourced from PubChem (CID 3057188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).