1,4,7-trimethylpyrazolo[3,4-d]pyridazine

C8H10N4 — CID 153487606

IUPAC1,4,7-trimethylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c1cnn2C
InChIInChI=1S/C8H10N4/c1-5-7-4-9-12(3)8(7)6(2)11-10-5/h4H,1-3H3
InChIKeyZUNJTHMISKNXMU-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.98
Rot. Bonds

About 1,4,7-trimethylpyrazolo[3,4-d]pyridazine

1,4,7-trimethylpyrazolo[3,4-d]pyridazine (PubChem CID 153487606) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1,4,7-trimethylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4,7-trimethylpyrazolo[3,4-d]pyridazine
PubChem CID153487606
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1,4,7-trimethylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c1cnn2C
InChIInChI=1S/C8H10N4/c1-5-7-4-9-12(3)8(7)6(2)11-10-5/h4H,1-3H3
InChIKeyZUNJTHMISKNXMU-UHFFFAOYSA-N
XLogP0.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-1H-indazole
CID 139456
1-Phenylpyrazolo[5,4-c]pyridine
CID 11183181
7-chloro-1,3-dimethyl-1H-pyrazolo(3,4-d)pyridazine
CID 121552891
2-Ethylpyrazolo[3,4-c]pyridine
CID 148322778
1H-Pyrazolo[3,4-c]pyridin-4-amine, 1-(2,2-difluoroethyl)-
CID 89666882
2-Methyl-6-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine
CID 118987114
1-Cyclohexyl-7-fluoro-3-methylpyrazolo[4,3-c]pyridine
CID 130336019
1-Prop-1-en-2-yl-6-(trifluoromethyl)pyrazolo[4,5-b]pyridine
CID 130344254
(2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine
CID 134187790
4-Fluoro-3-iodo-1,5-dimethylpyrazolo[3,4-c]pyridine
CID 134337154
(3-Ethyl-5-methylpyrazolo[5,4-c]pyridin-1-yl) thiohypofluorite
CID 162526971
2-(Difluoromethyl)-5-methylpyrazolo[3,4-c]pyridine
CID 164548591

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 1,4,7-trimethylpyrazolo[3,4-d]pyridazine (CID 153487606) is 1,4,7-trimethylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4,7-trimethylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 1,4,7-trimethylpyrazolo[3,4-d]pyridazine is Cc1nnc(C)c2c1cnn2C.
What is the InChIKey of 1,4,7-trimethylpyrazolo[3,4-d]pyridazine?
The InChIKey is ZUNJTHMISKNXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5-7-4-9-12(3)8(7)6(2)11-10-5/h4H,1-3H3.
What are the key properties of 1,4,7-trimethylpyrazolo[3,4-d]pyridazine?
1,4,7-trimethylpyrazolo[3,4-d]pyridazine has a molecular weight of 162.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 153487606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).