5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one

C6H6N4O — CID 14969910

IUPAC5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one
SMILESCn1ncc2[nH]ncc2c1=O
InChIInChI=1S/C6H6N4O/c1-10-6(11)4-2-7-9-5(4)3-8-10/h2-3H,1H3,(H,7,9)
InChIKeyGACFUESYHABIPS-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.34
Rot. Bonds

About 5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one

5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one (PubChem CID 14969910) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one
PubChem CID14969910
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one
SMILESCn1ncc2[nH]ncc2c1=O
InChIInChI=1S/C6H6N4O/c1-10-6(11)4-2-7-9-5(4)3-8-10/h2-3H,1H3,(H,7,9)
InChIKeyGACFUESYHABIPS-UHFFFAOYSA-N
XLogP-0.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one (CID 14969910) is 5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one is Cn1ncc2[nH]ncc2c1=O.
What is the InChIKey of 5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one?
The InChIKey is GACFUESYHABIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-10-6(11)4-2-7-9-5(4)3-8-10/h2-3H,1H3,(H,7,9).
What are the key properties of 5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one?
5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one has a molecular weight of 150.14 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 14969910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).