1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one

C6H6ClN5O — CID 135818445

IUPAC1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one
SMILESCc1nn(N)c2[nH]nc(Cl)c(=O)c12
InChIInChI=1S/C6H6ClN5O/c1-2-3-4(13)5(7)9-10-6(3)12(8)11-2/h8H2,1H3,(H,10,13)
InChIKeyKWMYAYOHWFXQBM-UHFFFAOYSA-N
MW199.60 g/mol
LogP-0.20
Rot. Bonds

About 1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one

1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one (PubChem CID 135818445) has the molecular formula C6H6ClN5O and a molecular weight of 199.60 g/mol. Its IUPAC name is 1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one.

Molecular Properties

Compound Name1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one
PubChem CID135818445
Molecular FormulaC6H6ClN5O
Molecular Weight199.60 g/mol
Exact Mass199.03
IUPAC Name1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one
SMILESCc1nn(N)c2[nH]nc(Cl)c(=O)c12
InChIInChI=1S/C6H6ClN5O/c1-2-3-4(13)5(7)9-10-6(3)12(8)11-2/h8H2,1H3,(H,10,13)
InChIKeyKWMYAYOHWFXQBM-UHFFFAOYSA-N
XLogP-0.20
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.60
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one?
The IUPAC name of 1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one (CID 135818445) is 1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one.
What is the SMILES notation for 1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one?
The canonical SMILES for 1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one is Cc1nn(N)c2[nH]nc(Cl)c(=O)c12.
What is the InChIKey of 1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one?
The InChIKey is KWMYAYOHWFXQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5O/c1-2-3-4(13)5(7)9-10-6(3)12(8)11-2/h8H2,1H3,(H,10,13).
What are the key properties of 1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one?
1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one has a molecular weight of 199.60 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-chloro-3-methyl-7H-pyrazolo[5,4-c]pyridazin-4-one is sourced from PubChem (CID 135818445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).