2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one

C8H7N3O2 — CID 154662315

IUPAC2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one
SMILESCn1nc(-c2cnco2)ccc1=O
InChIInChI=1S/C8H7N3O2/c1-11-8(12)3-2-6(10-11)7-4-9-5-13-7/h2-5H,1H3
InChIKeyYBSGOTMVJKKLMM-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.44
Rot. Bonds1

About 2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one

2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one (PubChem CID 154662315) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one
PubChem CID154662315
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one
SMILESCn1nc(-c2cnco2)ccc1=O
InChIInChI=1S/C8H7N3O2/c1-11-8(12)3-2-6(10-11)7-4-9-5-13-7/h2-5H,1H3
InChIKeyYBSGOTMVJKKLMM-UHFFFAOYSA-N
XLogP0.44
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one (CID 154662315) is 2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one is Cn1nc(-c2cnco2)ccc1=O.
What is the InChIKey of 2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one?
The InChIKey is YBSGOTMVJKKLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-11-8(12)3-2-6(10-11)7-4-9-5-13-7/h2-5H,1H3.
What are the key properties of 2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one?
2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one has a molecular weight of 177.16 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one is sourced from PubChem (CID 154662315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).