3-methyl-2H-pyrazolo[3,4-c]pyridazine

C6H6N4 — CID 66999600

IUPAC3-methyl-2H-pyrazolo[3,4-c]pyridazine
SMILESCc1[nH]nc2nnccc12
InChIInChI=1S/C6H6N4/c1-4-5-2-3-7-9-6(5)10-8-4/h2-3H,1H3,(H,8,9,10)
InChIKeyRYYNGPVBUXPYCI-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.66
Rot. Bonds

About 3-methyl-2H-pyrazolo[3,4-c]pyridazine

3-methyl-2H-pyrazolo[3,4-c]pyridazine (PubChem CID 66999600) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 3-methyl-2H-pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name3-methyl-2H-pyrazolo[3,4-c]pyridazine
PubChem CID66999600
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name3-methyl-2H-pyrazolo[3,4-c]pyridazine
SMILESCc1[nH]nc2nnccc12
InChIInChI=1S/C6H6N4/c1-4-5-2-3-7-9-6(5)10-8-4/h2-3H,1H3,(H,8,9,10)
InChIKeyRYYNGPVBUXPYCI-UHFFFAOYSA-N
XLogP0.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyrazolo[3,4-c]pyridazine?
The IUPAC name of 3-methyl-2H-pyrazolo[3,4-c]pyridazine (CID 66999600) is 3-methyl-2H-pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 3-methyl-2H-pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 3-methyl-2H-pyrazolo[3,4-c]pyridazine is Cc1[nH]nc2nnccc12.
What is the InChIKey of 3-methyl-2H-pyrazolo[3,4-c]pyridazine?
The InChIKey is RYYNGPVBUXPYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-4-5-2-3-7-9-6(5)10-8-4/h2-3H,1H3,(H,8,9,10).
What are the key properties of 3-methyl-2H-pyrazolo[3,4-c]pyridazine?
3-methyl-2H-pyrazolo[3,4-c]pyridazine has a molecular weight of 134.14 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 66999600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).