6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C18H20F2N6O — CID 86894830

IUPAC6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(c1ccc(OC(F)F)cc1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C18H20F2N6O/c1-13(14-2-4-15(5-3-14)27-18(19)20)24-8-10-25(11-9-24)17-7-6-16-22-21-12-26(16)23-17/h2-7,12-13,18H,8-11H2,1H3
InChIKeyBHSUUDMZFUHXBA-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.61
Rot. Bonds5

About 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 86894830) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID86894830
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(c1ccc(OC(F)F)cc1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C18H20F2N6O/c1-13(14-2-4-15(5-3-14)27-18(19)20)24-8-10-25(11-9-24)17-7-6-16-22-21-12-26(16)23-17/h2-7,12-13,18H,8-11H2,1H3
InChIKeyBHSUUDMZFUHXBA-UHFFFAOYSA-N
XLogP2.61
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95348946
6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 171702464
2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
CID 47520543
6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126892258
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine
CID 86894996
[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol
CID 47524579
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 163352969
6-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67339923
6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 154768884
2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 165434332
6-[(2S)-2-methyl-4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 100838784
6-[(2R)-2-methyl-4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95287643

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 86894830) is 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(c1ccc(OC(F)F)cc1)N1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BHSUUDMZFUHXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O/c1-13(14-2-4-15(5-3-14)27-18(19)20)24-8-10-25(11-9-24)17-7-6-16-22-21-12-26(16)23-17/h2-7,12-13,18H,8-11H2,1H3.
What are the key properties of 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 374.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 86894830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).