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

C5H4N4O — CID 15451646

IUPAC1,6-dihydropyrazolo[4,5-d]pyridazin-7-one
SMILESO=c1[nH]ncc2cn[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)
InChIKeyQICFIUZWDPJRQF-UHFFFAOYSA-N
MW136.11 g/mol
LogP-0.35
Rot. Bonds

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

1,6-dihydropyrazolo[4,5-d]pyridazin-7-one (PubChem CID 15451646) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 1,6-dihydropyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1,6-dihydropyrazolo[4,5-d]pyridazin-7-one
PubChem CID15451646
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name1,6-dihydropyrazolo[4,5-d]pyridazin-7-one
SMILESO=c1[nH]ncc2cn[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)
InChIKeyQICFIUZWDPJRQF-UHFFFAOYSA-N
XLogP-0.35
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydropyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1,6-dihydropyrazolo[4,5-d]pyridazin-7-one (CID 15451646) is 1,6-dihydropyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1,6-dihydropyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1,6-dihydropyrazolo[4,5-d]pyridazin-7-one is O=c1[nH]ncc2cn[nH]c12.
What is the InChIKey of 1,6-dihydropyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is QICFIUZWDPJRQF-UHFFFAOYSA-N. 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).
What are the key properties of 1,6-dihydropyrazolo[4,5-d]pyridazin-7-one?
1,6-dihydropyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 136.11 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 15451646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).