6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid

C15H13F3N4O4 — CID 66849700

IUPAC6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C15H13F3N4O4/c16-15(17,18)12-9(3-8-26-12)13(23)22-6-4-21(5-7-22)11-2-1-10(14(24)25)19-20-11/h1-3,8H,4-7H2,(H,24,25)
InChIKeyRPMZOOPHKCPBMB-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.75
Rot. Bonds3

About 6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid

6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 66849700) has the molecular formula C15H13F3N4O4 and a molecular weight of 370.29 g/mol. Its IUPAC name is 6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid
PubChem CID66849700
Molecular FormulaC15H13F3N4O4
Molecular Weight370.29 g/mol
Exact Mass370.09
IUPAC Name6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C15H13F3N4O4/c16-15(17,18)12-9(3-8-26-12)13(23)22-6-4-21(5-7-22)11-2-1-10(14(24)25)19-20-11/h1-3,8H,4-7H2,(H,24,25)
InChIKeyRPMZOOPHKCPBMB-UHFFFAOYSA-N
XLogP1.75
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66850025
6-[4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66850153
6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849794
N-hydroxy-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 141143829
hexanamide;6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 174505043
N-(2,2-difluoro-2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 67012136
6-[4-[3-(difluoromethyl)-2,4,4,4-tetrafluoro-3-hydroxybutanoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 87864304
6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849323
N-(2,6-dichlorophenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66849746
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
2-[4-[6-[cyclopropyl(ethyl)carbamoyl]pyridazin-3-yl]piperazine-1-carbonyl]benzoic acid
CID 67011572
6-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138382841

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid (CID 66849700) is 6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid is O=C(O)c1ccc(N2CCN(C(=O)c3ccoc3C(F)(F)F)CC2)nn1.
What is the InChIKey of 6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is RPMZOOPHKCPBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O4/c16-15(17,18)12-9(3-8-26-12)13(23)22-6-4-21(5-7-22)11-2-1-10(14(24)25)19-20-11/h1-3,8H,4-7H2,(H,24,25).
What are the key properties of 6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 370.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 66849700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).