1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol

C10H12N4O2 — CID 102660561

IUPAC1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1cc(-c2nc(C(C)O)no2)c(C)nn1
InChIInChI=1S/C10H12N4O2/c1-5-4-8(6(2)13-12-5)10-11-9(7(3)15)14-16-10/h4,7,15H,1-3H3
InChIKeyPQXIWGPMULTABP-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.20
Rot. Bonds2

About 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol

1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 102660561) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID102660561
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1cc(-c2nc(C(C)O)no2)c(C)nn1
InChIInChI=1S/C10H12N4O2/c1-5-4-8(6(2)13-12-5)10-11-9(7(3)15)14-16-10/h4,7,15H,1-3H3
InChIKeyPQXIWGPMULTABP-UHFFFAOYSA-N
XLogP1.20
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 102660561) is 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol is Cc1cc(-c2nc(C(C)O)no2)c(C)nn1.
What is the InChIKey of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is PQXIWGPMULTABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5-4-8(6(2)13-12-5)10-11-9(7(3)15)14-16-10/h4,7,15H,1-3H3.
What are the key properties of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 220.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 102660561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).