3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one

C12H16N4O3 — CID 97434115

IUPAC3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(CCc2nc([C@H]3CCOC3)no2)=NN1
InChIInChI=1S/C12H16N4O3/c17-10-3-1-9(14-15-10)2-4-11-13-12(16-19-11)8-5-6-18-7-8/h8H,1-7H2,(H,15,17)/t8-/m0/s1
InChIKeyOHXMLWZJENWEPJ-QMMMGPOBSA-N
MW264.28 g/mol
LogP0.77
Rot. Bonds4

About 3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one

3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 97434115) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID97434115
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(CCc2nc([C@H]3CCOC3)no2)=NN1
InChIInChI=1S/C12H16N4O3/c17-10-3-1-9(14-15-10)2-4-11-13-12(16-19-11)8-5-6-18-7-8/h8H,1-7H2,(H,15,17)/t8-/m0/s1
InChIKeyOHXMLWZJENWEPJ-QMMMGPOBSA-N
XLogP0.77
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one (CID 97434115) is 3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(CCc2nc([C@H]3CCOC3)no2)=NN1.
What is the InChIKey of 3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is OHXMLWZJENWEPJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-10-3-1-9(14-15-10)2-4-11-13-12(16-19-11)8-5-6-18-7-8/h8H,1-7H2,(H,15,17)/t8-/m0/s1.
What are the key properties of 3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 264.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 97434115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).