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

C11H9N5 — CID 6538882

IUPAC4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1[nH]nc2nncc(-c3ccccc3)c12
InChIInChI=1S/C11H9N5/c12-10-9-8(7-4-2-1-3-5-7)6-13-15-11(9)16-14-10/h1-6H,(H3,12,14,15,16)
InChIKeyGSDXVXFWNRXPFN-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.60
Rot. Bonds1

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

4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 6538882) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID6538882
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1[nH]nc2nncc(-c3ccccc3)c12
InChIInChI=1S/C11H9N5/c12-10-9-8(7-4-2-1-3-5-7)6-13-15-11(9)16-14-10/h1-6H,(H3,12,14,15,16)
InChIKeyGSDXVXFWNRXPFN-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 4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine (CID 6538882) is 4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine is Nc1[nH]nc2nncc(-c3ccccc3)c12.
What is the InChIKey of 4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is GSDXVXFWNRXPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-10-9-8(7-4-2-1-3-5-7)6-13-15-11(9)16-14-10/h1-6H,(H3,12,14,15,16).
What are the key properties of 4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
4-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 4-phenyl-2H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 6538882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).