1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol

C12H12F2N4O2 — CID 171813868

IUPAC1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol
SMILESCC(O)c1nccnc1-c1ccc(OCC(F)F)nn1
InChIInChI=1S/C12H12F2N4O2/c1-7(19)11-12(16-5-4-15-11)8-2-3-10(18-17-8)20-6-9(13)14/h2-5,7,9,19H,6H2,1H3
InChIKeyKVWOBVRYHFYPAM-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.63
Rot. Bonds5

About 1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol

1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol (PubChem CID 171813868) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol
PubChem CID171813868
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol
SMILESCC(O)c1nccnc1-c1ccc(OCC(F)F)nn1
InChIInChI=1S/C12H12F2N4O2/c1-7(19)11-12(16-5-4-15-11)8-2-3-10(18-17-8)20-6-9(13)14/h2-5,7,9,19H,6H2,1H3
InChIKeyKVWOBVRYHFYPAM-UHFFFAOYSA-N
XLogP1.63
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethanol
CID 171813872
1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethylazanium
CID 171813889
2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
CID 171813881
6-(2,2-difluoroethoxy)pyridine-3-carbothioamide
CID 82004872
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
1-(6-chloropyridazin-3-yl)oxypropan-2-amine
CID 23313311
1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 10014778
3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine
CID 126843872
[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol
CID 82007049
5-chloro-2-(2,2-difluoroethoxy)pyridine
CID 82005471
1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-N-methylethanamine
CID 82005773
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol?
The IUPAC name of 1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol (CID 171813868) is 1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol.
What is the SMILES notation for 1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol?
The canonical SMILES for 1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol is CC(O)c1nccnc1-c1ccc(OCC(F)F)nn1.
What is the InChIKey of 1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol?
The InChIKey is KVWOBVRYHFYPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c1-7(19)11-12(16-5-4-15-11)8-2-3-10(18-17-8)20-6-9(13)14/h2-5,7,9,19H,6H2,1H3.
What are the key properties of 1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol?
1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol has a molecular weight of 282.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(2,2-difluoroethoxy)pyridazin-3-yl]pyrazin-2-yl]ethanol is sourced from PubChem (CID 171813868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).