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

C12H16ClN3O — CID 3057187

IUPAC2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
SMILESCN(C)CCn1ncc2ccccc2c1=O.Cl
InChIInChI=1S/C12H15N3O.ClH/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;1H
InChIKeyACBGZTPTFUNYRW-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.38
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride (PubChem CID 3057187) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
PubChem CID3057187
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
SMILESCN(C)CCn1ncc2ccccc2c1=O.Cl
InChIInChI=1S/C12H15N3O.ClH/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;1H
InChIKeyACBGZTPTFUNYRW-UHFFFAOYSA-N
XLogP1.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.38
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;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride (CID 3057187) is 2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride is CN(C)CCn1ncc2ccccc2c1=O.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride?
The InChIKey is ACBGZTPTFUNYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/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;1H.
What are the key properties of 2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride?
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.38, 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;hydrochloride is sourced from PubChem (CID 3057187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).