5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine

C12H11N5 — CID 6538881

IUPAC5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESCc1nnc2n[nH]c(N)c2c1-c1ccccc1
InChIInChI=1S/C12H11N5/c1-7-9(8-5-3-2-4-6-8)10-11(13)15-17-12(10)16-14-7/h2-6H,1H3,(H3,13,15,16,17)
InChIKeyAAQSSVYZZYPNQA-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.91
Rot. Bonds1

About 5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine

5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 6538881) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID6538881
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESCc1nnc2n[nH]c(N)c2c1-c1ccccc1
InChIInChI=1S/C12H11N5/c1-7-9(8-5-3-2-4-6-8)10-11(13)15-17-12(10)16-14-7/h2-6H,1H3,(H3,13,15,16,17)
InChIKeyAAQSSVYZZYPNQA-UHFFFAOYSA-N
XLogP1.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3,4-diphenyl-1H-pyrazol-5-amine
CID 737137
4,5-Diphenyl-2H-pyrazolo(3,4-c)pyridazin-3-amine
CID 6263849
5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538884
Pyrazolopyridazine 1l
CID 6538882
4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine
CID 24219251
Pyrazolopyridazine 2d
CID 6414244
4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538880
7-Benzyl-3,4-dimethyl-1H-pyrazolo(3,4-d)pyridazine
CID 325426
7-phenyl-1H-indazol-3-amine
CID 49830784
4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6418362
4-Methyl-5-phenyl-2H-pyrazol-3-ylamine
CID 318446

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine (CID 6538881) is 5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine is Cc1nnc2n[nH]c(N)c2c1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is AAQSSVYZZYPNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-7-9(8-5-3-2-4-6-8)10-11(13)15-17-12(10)16-14-7/h2-6H,1H3,(H3,13,15,16,17).
What are the key properties of 5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 225.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 6538881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).