2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one

C6H6N4O — CID 75468810

IUPAC2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCn1cc2cn[nH]c(=O)c2n1
InChIInChI=1S/C6H6N4O/c1-10-3-4-2-7-8-6(11)5(4)9-10/h2-3H,1H3,(H,8,11)
InChIKeyJWTHLUPHGPIRCC-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.34
Rot. Bonds

About 2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one

2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 75468810) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID75468810
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCn1cc2cn[nH]c(=O)c2n1
InChIInChI=1S/C6H6N4O/c1-10-3-4-2-7-8-6(11)5(4)9-10/h2-3H,1H3,(H,8,11)
InChIKeyJWTHLUPHGPIRCC-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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Related Compounds

Pyrazole-3,4-dicarboxamide, N,N',1-trimethyl-
CID 210532
1,3-dimethyl-1H-pyrazole-4-carbohydrazide
CID 4188482
2H,6H,7H-pyrazolo(3,4-d)pyridazin-7-one
CID 15451646
4-bromo-1-ethyl-1H-pyrazole-3-carbohydrazide
CID 840889
1-methyl-1H-pyrazole-3-carbohydrazide
CID 955611
1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
CID 6401375
4-iodo-1-methyl-1H-pyrazole-5-carboxamide
CID 3753008
4-Iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 619698
3-(aminomethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 138991240
2-methyl-6H-pyrazolo[3,4-c]pyridin-7-one
CID 154988992
2-Methyl-4-(trifluoromethyl)pyrazole-3-carboxamide
CID 67379170
1-methyl-N-(methylideneamino)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 118203751

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 75468810) is 2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one is Cn1cc2cn[nH]c(=O)c2n1.
What is the InChIKey of 2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is JWTHLUPHGPIRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-10-3-4-2-7-8-6(11)5(4)9-10/h2-3H,1H3,(H,8,11).
What are the key properties of 2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-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 2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 75468810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).