4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride

C9H14ClN3O — CID 23464665

IUPAC4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
SMILESCc1c2c(n[nH]c1=O)C(C)CNC2.Cl
InChIInChI=1S/C9H13N3O.ClH/c1-5-3-10-4-7-6(2)9(13)12-11-8(5)7;/h5,10H,3-4H2,1-2H3,(H,12,13);1H
InChIKeyWOJOGAFFBOGBKG-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.71
Rot. Bonds

About 4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride

4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride (PubChem CID 23464665) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
PubChem CID23464665
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
SMILESCc1c2c(n[nH]c1=O)C(C)CNC2.Cl
InChIInChI=1S/C9H13N3O.ClH/c1-5-3-10-4-7-6(2)9(13)12-11-8(5)7;/h5,10H,3-4H2,1-2H3,(H,12,13);1H
InChIKeyWOJOGAFFBOGBKG-UHFFFAOYSA-N
XLogP0.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride?
The IUPAC name of 4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride (CID 23464665) is 4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride.
What is the SMILES notation for 4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride?
The canonical SMILES for 4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride is Cc1c2c(n[nH]c1=O)C(C)CNC2.Cl.
What is the InChIKey of 4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride?
The InChIKey is WOJOGAFFBOGBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c1-5-3-10-4-7-6(2)9(13)12-11-8(5)7;/h5,10H,3-4H2,1-2H3,(H,12,13);1H.
What are the key properties of 4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride?
4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride is sourced from PubChem (CID 23464665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).