6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine

C12H10F3N3O — CID 178065217

IUPAC6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine
SMILESNc1ccc(-c2cccc(OCC(F)(F)F)c2)nn1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-19-9-3-1-2-8(6-9)10-4-5-11(16)18-17-10/h1-6H,7H2,(H2,16,18)
InChIKeyMVDCRAGFWNEZQS-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.67
Rot. Bonds3

About 6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine

6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine (PubChem CID 178065217) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine
PubChem CID178065217
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine
SMILESNc1ccc(-c2cccc(OCC(F)(F)F)c2)nn1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-19-9-3-1-2-8(6-9)10-4-5-11(16)18-17-10/h1-6H,7H2,(H2,16,18)
InChIKeyMVDCRAGFWNEZQS-UHFFFAOYSA-N
XLogP2.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine?
The IUPAC name of 6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine (CID 178065217) is 6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine is Nc1ccc(-c2cccc(OCC(F)(F)F)c2)nn1.
What is the InChIKey of 6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine?
The InChIKey is MVDCRAGFWNEZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)7-19-9-3-1-2-8(6-9)10-4-5-11(16)18-17-10/h1-6H,7H2,(H2,16,18).
What are the key properties of 6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine?
6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine has a molecular weight of 269.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine is sourced from PubChem (CID 178065217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).