3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine

C13H12N4 — CID 13193722

IUPAC3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2ccccc2)c2n[nH]c(C)c12
InChIInChI=1S/C13H12N4/c1-8-11-9(2)15-17-13(11)12(16-14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,17)
InChIKeyVADIINHVQYHGBX-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.64
Rot. Bonds1

About 3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine

3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine (PubChem CID 13193722) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine
PubChem CID13193722
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2ccccc2)c2n[nH]c(C)c12
InChIInChI=1S/C13H12N4/c1-8-11-9(2)15-17-13(11)12(16-14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,17)
InChIKeyVADIINHVQYHGBX-UHFFFAOYSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118348621
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CID 134975275
3-methyl-2H-phenanthro[9,10-c]pyrazole
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2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
CID 134914577
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
CID 11243342
7-benzyl-3-methyl-2,5-dihydropyrazolo[3,4-d]pyridazin-4-one
CID 6399191
3-methyl-4,5-diphenyl-[1,2]thiazolo[5,4-c]pyridazine
CID 15357980
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
CID 10846347
3-bromo-5-methyl-4-phenyl-1H-pyrazole
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CID 14040320

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine?
The IUPAC name of 3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine (CID 13193722) is 3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine is Cc1nnc(-c2ccccc2)c2n[nH]c(C)c12.
What is the InChIKey of 3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine?
The InChIKey is VADIINHVQYHGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-8-11-9(2)15-17-13(11)12(16-14-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,17).
What are the key properties of 3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine?
3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine has a molecular weight of 224.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-phenyl-2H-pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 13193722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).