1H-[1,2]oxazolo[4,3-c]pyridazin-3-one

C5H3N3O2 — CID 126665903

IUPAC1H-[1,2]oxazolo[4,3-c]pyridazin-3-one
SMILESO=c1o[nH]c2ccnnc12
InChIInChI=1S/C5H3N3O2/c9-5-4-3(8-10-5)1-2-6-7-4/h1-2,8H
InChIKeyPTCFERBBTZSVEK-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.09
Rot. Bonds

About 1H-[1,2]oxazolo[4,3-c]pyridazin-3-one

1H-[1,2]oxazolo[4,3-c]pyridazin-3-one (PubChem CID 126665903) has the molecular formula C5H3N3O2 and a molecular weight of 137.10 g/mol. Its IUPAC name is 1H-[1,2]oxazolo[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name1H-[1,2]oxazolo[4,3-c]pyridazin-3-one
PubChem CID126665903
Molecular FormulaC5H3N3O2
Molecular Weight137.10 g/mol
Exact Mass137.02
IUPAC Name1H-[1,2]oxazolo[4,3-c]pyridazin-3-one
SMILESO=c1o[nH]c2ccnnc12
InChIInChI=1S/C5H3N3O2/c9-5-4-3(8-10-5)1-2-6-7-4/h1-2,8H
InChIKeyPTCFERBBTZSVEK-UHFFFAOYSA-N
XLogP-0.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-[1,2]oxazolo[4,3-c]pyridazin-3-one?
The IUPAC name of 1H-[1,2]oxazolo[4,3-c]pyridazin-3-one (CID 126665903) is 1H-[1,2]oxazolo[4,3-c]pyridazin-3-one.
What is the SMILES notation for 1H-[1,2]oxazolo[4,3-c]pyridazin-3-one?
The canonical SMILES for 1H-[1,2]oxazolo[4,3-c]pyridazin-3-one is O=c1o[nH]c2ccnnc12.
What is the InChIKey of 1H-[1,2]oxazolo[4,3-c]pyridazin-3-one?
The InChIKey is PTCFERBBTZSVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2/c9-5-4-3(8-10-5)1-2-6-7-4/h1-2,8H.
What are the key properties of 1H-[1,2]oxazolo[4,3-c]pyridazin-3-one?
1H-[1,2]oxazolo[4,3-c]pyridazin-3-one has a molecular weight of 137.10 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1,2]oxazolo[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126665903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).