6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one

C12H12N4O3 — CID 86265120

IUPAC6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCc3oncc3C2)ccc1=O
InChIInChI=1S/C12H12N4O3/c1-15-11(17)3-2-9(14-15)12(18)16-5-4-10-8(7-16)6-13-19-10/h2-3,6H,4-5,7H2,1H3
InChIKeyUHIHRGDXOFBRIB-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.03
Rot. Bonds1

About 6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one

6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one (PubChem CID 86265120) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
PubChem CID86265120
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCc3oncc3C2)ccc1=O
InChIInChI=1S/C12H12N4O3/c1-15-11(17)3-2-9(14-15)12(18)16-5-4-10-8(7-16)6-13-19-10/h2-3,6H,4-5,7H2,1H3
InChIKeyUHIHRGDXOFBRIB-UHFFFAOYSA-N
XLogP-0.03
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one (CID 86265120) is 6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCc3oncc3C2)ccc1=O.
What is the InChIKey of 6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is UHIHRGDXOFBRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-15-11(17)3-2-9(14-15)12(18)16-5-4-10-8(7-16)6-13-19-10/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one?
6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 260.25 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 86265120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).