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

C11H9N5 — CID 6538884

IUPAC5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1[nH]nc2nnc(-c3ccccc3)cc12
InChIInChI=1S/C11H9N5/c12-10-8-6-9(7-4-2-1-3-5-7)13-15-11(8)16-14-10/h1-6H,(H3,12,14,15,16)
InChIKeyOQJKZGGGSJDJQX-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.60
Rot. Bonds1

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

5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 6538884) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID6538884
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1[nH]nc2nnc(-c3ccccc3)cc12
InChIInChI=1S/C11H9N5/c12-10-8-6-9(7-4-2-1-3-5-7)13-15-11(8)16-14-10/h1-6H,(H3,12,14,15,16)
InChIKeyOQJKZGGGSJDJQX-UHFFFAOYSA-N
XLogP1.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine (CID 6538884) is 5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine is Nc1[nH]nc2nnc(-c3ccccc3)cc12.
What is the InChIKey of 5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is OQJKZGGGSJDJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-10-8-6-9(7-4-2-1-3-5-7)13-15-11(8)16-14-10/h1-6H,(H3,12,14,15,16).
What are the key properties of 5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 211.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 6538884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).