2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride

C8H15Cl2N3O — CID 175995239

IUPAC2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride
SMILESCN(C)CCn1ncccc1=O.Cl.Cl
InChIInChI=1S/C8H13N3O.2ClH/c1-10(2)6-7-11-8(12)4-3-5-9-11;;/h3-5H,6-7H2,1-2H3;2*1H
InChIKeyUHBOMABBBTVRJI-UHFFFAOYSA-N
MW240.13 g/mol
LogP0.65
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride

2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride (PubChem CID 175995239) has the molecular formula C8H15Cl2N3O and a molecular weight of 240.13 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride
PubChem CID175995239
Molecular FormulaC8H15Cl2N3O
Molecular Weight240.13 g/mol
Exact Mass239.06
IUPAC Name2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride
SMILESCN(C)CCn1ncccc1=O.Cl.Cl
InChIInChI=1S/C8H13N3O.2ClH/c1-10(2)6-7-11-8(12)4-3-5-9-11;;/h3-5H,6-7H2,1-2H3;2*1H
InChIKeyUHBOMABBBTVRJI-UHFFFAOYSA-N
XLogP0.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 50.65
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]pyridazin-3-one;dihydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride (CID 175995239) is 2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride is CN(C)CCn1ncccc1=O.Cl.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride?
The InChIKey is UHBOMABBBTVRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.2ClH/c1-10(2)6-7-11-8(12)4-3-5-9-11;;/h3-5H,6-7H2,1-2H3;2*1H.
What are the key properties of 2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride?
2-[2-(dimethylamino)ethyl]pyridazin-3-one;dihydrochloride has a molecular weight of 240.13 g/mol, XLogP of 0.65, 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]pyridazin-3-one;dihydrochloride is sourced from PubChem (CID 175995239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).