7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one

C12H7F2N3O2 — CID 102525162

IUPAC7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one
SMILESNc1nn(-c2ccc(F)cc2F)c(=O)c2ccoc12
InChIInChI=1S/C12H7F2N3O2/c13-6-1-2-9(8(14)5-6)17-12(18)7-3-4-19-10(7)11(15)16-17/h1-5H,(H2,15,16)
InChIKeyKTZWMKCSWGWMQQ-UHFFFAOYSA-N
MW263.20 g/mol
LogP1.84
Rot. Bonds1

About 7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one

7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one (PubChem CID 102525162) has the molecular formula C12H7F2N3O2 and a molecular weight of 263.20 g/mol. Its IUPAC name is 7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one
PubChem CID102525162
Molecular FormulaC12H7F2N3O2
Molecular Weight263.20 g/mol
Exact Mass263.05
IUPAC Name7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one
SMILESNc1nn(-c2ccc(F)cc2F)c(=O)c2ccoc12
InChIInChI=1S/C12H7F2N3O2/c13-6-1-2-9(8(14)5-6)17-12(18)7-3-4-19-10(7)11(15)16-17/h1-5H,(H2,15,16)
InChIKeyKTZWMKCSWGWMQQ-UHFFFAOYSA-N
XLogP1.84
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one?
The IUPAC name of 7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one (CID 102525162) is 7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one?
The canonical SMILES for 7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one is Nc1nn(-c2ccc(F)cc2F)c(=O)c2ccoc12.
What is the InChIKey of 7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one?
The InChIKey is KTZWMKCSWGWMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O2/c13-6-1-2-9(8(14)5-6)17-12(18)7-3-4-19-10(7)11(15)16-17/h1-5H,(H2,15,16).
What are the key properties of 7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one?
7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one has a molecular weight of 263.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(2,4-difluorophenyl)furo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 102525162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).