4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine

C13H9N5O2 — CID 6538878

IUPAC4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1[nH]nc2nnc(-c3ccco3)c(-c3ccco3)c12
InChIInChI=1S/C13H9N5O2/c14-12-10-9(7-3-1-5-19-7)11(8-4-2-6-20-8)15-17-13(10)18-16-12/h1-6H,(H3,14,16,17,18)
InChIKeyJMJCUIIPOGHCCY-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.46
Rot. Bonds2

About 4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine

4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 6538878) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID6538878
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESNc1[nH]nc2nnc(-c3ccco3)c(-c3ccco3)c12
InChIInChI=1S/C13H9N5O2/c14-12-10-9(7-3-1-5-19-7)11(8-4-2-6-20-8)15-17-13(10)18-16-12/h1-6H,(H3,14,16,17,18)
InChIKeyJMJCUIIPOGHCCY-UHFFFAOYSA-N
XLogP2.46
TPSA106.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine (CID 6538878) is 4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine is Nc1[nH]nc2nnc(-c3ccco3)c(-c3ccco3)c12.
What is the InChIKey of 4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is JMJCUIIPOGHCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c14-12-10-9(7-3-1-5-19-7)11(8-4-2-6-20-8)15-17-13(10)18-16-12/h1-6H,(H3,14,16,17,18).
What are the key properties of 4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine?
4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 267.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(furan-2-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 6538878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).