3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine

C10H14F2N4O — CID 126843872

IUPAC3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine
SMILESFC(F)COc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C10H14F2N4O/c11-8(12)7-17-10-2-1-9(14-15-10)16-5-3-13-4-6-16/h1-2,8,13H,3-7H2
InChIKeyVENFTKKFIZRDRX-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.53
Rot. Bonds4

About 3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine

3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine (PubChem CID 126843872) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine
PubChem CID126843872
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine
SMILESFC(F)COc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C10H14F2N4O/c11-8(12)7-17-10-2-1-9(14-15-10)16-5-3-13-4-6-16/h1-2,8,13H,3-7H2
InChIKeyVENFTKKFIZRDRX-UHFFFAOYSA-N
XLogP0.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
CID 52903948
1-[6-(2-methylpropyl)pyridazin-3-yl]-1,4-diazepane
CID 116972621
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
CID 84805335
2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid
CID 19602888
3,6-di(piperazin-1-yl)-1,2,4-triazine
CID 129162608
(6-piperazin-1-yl-3-pyridinyl)methanol
CID 23385573
1-[4-(2-fluoropropoxy)phenyl]piperazine
CID 57025823
3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine
CID 75359389
3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole
CID 19608320
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine
CID 99980102

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine?
The IUPAC name of 3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine (CID 126843872) is 3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine is FC(F)COc1ccc(N2CCNCC2)nn1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine?
The InChIKey is VENFTKKFIZRDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-8(12)7-17-10-2-1-9(14-15-10)16-5-3-13-4-6-16/h1-2,8,13H,3-7H2.
What are the key properties of 3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine?
3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine has a molecular weight of 244.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-6-piperazin-1-ylpyridazine is sourced from PubChem (CID 126843872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).