1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one

C5H5N4O+ — CID 123432520

IUPAC1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one
SMILESO=c1[nH]ncc2c[nH+][nH]c12
InChIInChI=1S/C5H4N4O/c10-5-4-3(1-6-8-4)2-7-9-5/h1-2H,(H,6,8)(H,9,10)/p+1
InChIKeyQICFIUZWDPJRQF-UHFFFAOYSA-O
MW137.12 g/mol
LogP-0.93
Rot. Bonds

About 1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one

1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one (PubChem CID 123432520) has the molecular formula C5H5N4O+ and a molecular weight of 137.12 g/mol. Its IUPAC name is 1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one.

Molecular Properties

Compound Name1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one
PubChem CID123432520
Molecular FormulaC5H5N4O+
Molecular Weight137.12 g/mol
Exact Mass137.05
IUPAC Name1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one
SMILESO=c1[nH]ncc2c[nH+][nH]c12
InChIInChI=1S/C5H4N4O/c10-5-4-3(1-6-8-4)2-7-9-5/h1-2H,(H,6,8)(H,9,10)/p+1
InChIKeyQICFIUZWDPJRQF-UHFFFAOYSA-O
XLogP-0.93
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one?
The IUPAC name of 1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one (CID 123432520) is 1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one.
What is the SMILES notation for 1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one?
The canonical SMILES for 1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one is O=c1[nH]ncc2c[nH+][nH]c12.
What is the InChIKey of 1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one?
The InChIKey is QICFIUZWDPJRQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H4N4O/c10-5-4-3(1-6-8-4)2-7-9-5/h1-2H,(H,6,8)(H,9,10)/p+1.
What are the key properties of 1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one?
1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one has a molecular weight of 137.12 g/mol, XLogP of -0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrazolo[4,5-d]pyridazin-2-ium-7-one is sourced from PubChem (CID 123432520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).