3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one

C7H8N4O — CID 18919082

IUPAC3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one
SMILESCc1[nH]nc2cnn(C)c(=O)c12
InChIInChI=1S/C7H8N4O/c1-4-6-5(10-9-4)3-8-11(2)7(6)12/h3H,1-2H3,(H,9,10)
InChIKeyLCUHBNZDNCOGHI-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.03
Rot. Bonds

About 3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one

3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one (PubChem CID 18919082) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one
PubChem CID18919082
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one
SMILESCc1[nH]nc2cnn(C)c(=O)c12
InChIInChI=1S/C7H8N4O/c1-4-6-5(10-9-4)3-8-11(2)7(6)12/h3H,1-2H3,(H,9,10)
InChIKeyLCUHBNZDNCOGHI-UHFFFAOYSA-N
XLogP-0.03
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one (CID 18919082) is 3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one is Cc1[nH]nc2cnn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one?
The InChIKey is LCUHBNZDNCOGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-6-5(10-9-4)3-8-11(2)7(6)12/h3H,1-2H3,(H,9,10).
What are the key properties of 3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one?
3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one has a molecular weight of 164.17 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2H-pyrazolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 18919082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).