3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol

C4H8N2O2 — CID 166900572

IUPAC3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol
SMILESCC1=NC(O)CON1
InChIInChI=1S/C4H8N2O2/c1-3-5-4(7)2-8-6-3/h4,7H,2H2,1H3,(H,5,6)
InChIKeyFEMUNCYECQBWHY-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.74
Rot. Bonds

About 3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol

3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol (PubChem CID 166900572) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol
PubChem CID166900572
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol
SMILESCC1=NC(O)CON1
InChIInChI=1S/C4H8N2O2/c1-3-5-4(7)2-8-6-3/h4,7H,2H2,1H3,(H,5,6)
InChIKeyFEMUNCYECQBWHY-UHFFFAOYSA-N
XLogP-0.74
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol?
The IUPAC name of 3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol (CID 166900572) is 3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol.
What is the SMILES notation for 3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol?
The canonical SMILES for 3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol is CC1=NC(O)CON1.
What is the InChIKey of 3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol?
The InChIKey is FEMUNCYECQBWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3-5-4(7)2-8-6-3/h4,7H,2H2,1H3,(H,5,6).
What are the key properties of 3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol?
3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol has a molecular weight of 116.12 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-ol is sourced from PubChem (CID 166900572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).