1,3-dimethylpyrazolo[3,4-d]pyridazine

C7H8N4 — CID 59430807

IUPAC1,3-dimethylpyrazolo[3,4-d]pyridazine
SMILESCc1nn(C)c2cnncc12
InChIInChI=1S/C7H8N4/c1-5-6-3-8-9-4-7(6)11(2)10-5/h3-4H,1-2H3
InChIKeyDMTHUZLMCURXLV-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.67
Rot. Bonds

About 1,3-dimethylpyrazolo[3,4-d]pyridazine

1,3-dimethylpyrazolo[3,4-d]pyridazine (PubChem CID 59430807) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 1,3-dimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,3-dimethylpyrazolo[3,4-d]pyridazine
PubChem CID59430807
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name1,3-dimethylpyrazolo[3,4-d]pyridazine
SMILESCc1nn(C)c2cnncc12
InChIInChI=1S/C7H8N4/c1-5-6-3-8-9-4-7(6)11(2)10-5/h3-4H,1-2H3
InChIKeyDMTHUZLMCURXLV-UHFFFAOYSA-N
XLogP0.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 1,3-dimethylpyrazolo[3,4-d]pyridazine (CID 59430807) is 1,3-dimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 1,3-dimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 1,3-dimethylpyrazolo[3,4-d]pyridazine is Cc1nn(C)c2cnncc12.
What is the InChIKey of 1,3-dimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is DMTHUZLMCURXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-5-6-3-8-9-4-7(6)11(2)10-5/h3-4H,1-2H3.
What are the key properties of 1,3-dimethylpyrazolo[3,4-d]pyridazine?
1,3-dimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 148.17 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 59430807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).