5-amino-3-(furan-2-yl)-1H-pyridazin-6-one

C8H7N3O2 — CID 51589117

IUPAC5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
SMILESNc1cc(-c2ccco2)n[nH]c1=O
InChIInChI=1S/C8H7N3O2/c9-5-4-6(10-11-8(5)12)7-2-1-3-13-7/h1-4H,(H2,9,10)(H,11,12)
InChIKeyHVPBVUZTMBMPTQ-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.61
Rot. Bonds1

About 5-amino-3-(furan-2-yl)-1H-pyridazin-6-one

5-amino-3-(furan-2-yl)-1H-pyridazin-6-one (PubChem CID 51589117) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-amino-3-(furan-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
PubChem CID51589117
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
SMILESNc1cc(-c2ccco2)n[nH]c1=O
InChIInChI=1S/C8H7N3O2/c9-5-4-6(10-11-8(5)12)7-2-1-3-13-7/h1-4H,(H2,9,10)(H,11,12)
InChIKeyHVPBVUZTMBMPTQ-UHFFFAOYSA-N
XLogP0.61
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(furan-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-(furan-2-yl)-1H-pyridazin-6-one (CID 51589117) is 5-amino-3-(furan-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-(furan-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-(furan-2-yl)-1H-pyridazin-6-one is Nc1cc(-c2ccco2)n[nH]c1=O.
What is the InChIKey of 5-amino-3-(furan-2-yl)-1H-pyridazin-6-one?
The InChIKey is HVPBVUZTMBMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-5-4-6(10-11-8(5)12)7-2-1-3-13-7/h1-4H,(H2,9,10)(H,11,12).
What are the key properties of 5-amino-3-(furan-2-yl)-1H-pyridazin-6-one?
5-amino-3-(furan-2-yl)-1H-pyridazin-6-one has a molecular weight of 177.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(furan-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 51589117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).