5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

C13H16N4O3 — CID 97434831

IUPAC5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESCc1cc(=O)n(Cc2nc([C@@H]3CCOC3)no2)nc1C
InChIInChI=1S/C13H16N4O3/c1-8-5-12(18)17(15-9(8)2)6-11-14-13(16-20-11)10-3-4-19-7-10/h5,10H,3-4,6-7H2,1-2H3/t10-/m1/s1
InChIKeyIQPRLLMWLPLCDV-SNVBAGLBSA-N
MW276.30 g/mol
LogP0.80
Rot. Bonds3

About 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 97434831) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
PubChem CID97434831
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESCc1cc(=O)n(Cc2nc([C@@H]3CCOC3)no2)nc1C
InChIInChI=1S/C13H16N4O3/c1-8-5-12(18)17(15-9(8)2)6-11-14-13(16-20-11)10-3-4-19-7-10/h5,10H,3-4,6-7H2,1-2H3/t10-/m1/s1
InChIKeyIQPRLLMWLPLCDV-SNVBAGLBSA-N
XLogP0.80
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

4-methyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one
CID 97437342
1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 97443276
5-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 167877520
3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 72933378
2-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65330336
3-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one
CID 97434445
3-(3-methylphenyl)-5-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
CID 72846499
3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 97455544
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
3-methyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65329891
5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 119163349
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (CID 97434831) is 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is Cc1cc(=O)n(Cc2nc([C@@H]3CCOC3)no2)nc1C.
What is the InChIKey of 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is IQPRLLMWLPLCDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-5-12(18)17(15-9(8)2)6-11-14-13(16-20-11)10-3-4-19-7-10/h5,10H,3-4,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 276.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 97434831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).