3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine

C15H16N4 — CID 5046697

IUPAC3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2nc3c(C)nnc(C)c3c2C)cc1
InChIInChI=1S/C15H16N4/c1-9-5-7-13(8-6-9)19-12(4)14-10(2)16-17-11(3)15(14)18-19/h5-8H,1-4H3
InChIKeyNLKNXSMXDVXSTG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.05
Rot. Bonds1

About 3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine

3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (PubChem CID 5046697) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
PubChem CID5046697
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2nc3c(C)nnc(C)c3c2C)cc1
InChIInChI=1S/C15H16N4/c1-9-5-7-13(8-6-9)19-12(4)14-10(2)16-17-11(3)15(14)18-19/h5-8H,1-4H3
InChIKeyNLKNXSMXDVXSTG-UHFFFAOYSA-N
XLogP3.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,5,7-tetramethyl-6-phenyl-6H-pyrrolo[3,4-d]pyridazine
CID 4874234
2-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 787583
1,4,5,7-Tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
CID 921199
2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 706754
6-(3,4-dimethylphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 804001
7-chloro-3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazine
CID 848986
7-chloro-3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazine
CID 848987
7-Chloro-2-(4-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 848989
6-(3,5-dimethylphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 946260
7-Chloro-2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 1234287
(2,5-Dimethyl-3-phenyl-2H-pyrazolo[4,3-b]pyridin-7-yl)-dipropyl-amine
CID 44341455
3-Ethyl-6-(4-methylpiperazin-1-yl)-1-phenylindazole
CID 56663311

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The IUPAC name of 3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine (CID 5046697) is 3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is Cc1ccc(-n2nc3c(C)nnc(C)c3c2C)cc1.
What is the InChIKey of 3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
The InChIKey is NLKNXSMXDVXSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9-5-7-13(8-6-9)19-12(4)14-10(2)16-17-11(3)15(14)18-19/h5-8H,1-4H3.
What are the key properties of 3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine?
3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine has a molecular weight of 252.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 5046697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).