6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C6H6F3N3O — CID 170993906

IUPAC6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CC(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-12-5(13)2-1-4(10)11-12/h1-2H,3H2,(H2,10,11)
InChIKeyKIKAVRWTPCTHPV-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.39
Rot. Bonds1

About 6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one

6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 170993906) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID170993906
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CC(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-12-5(13)2-1-4(10)11-12/h1-2H,3H2,(H2,10,11)
InChIKeyKIKAVRWTPCTHPV-UHFFFAOYSA-N
XLogP0.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 170993906) is 6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one is Nc1ccc(=O)n(CC(F)(F)F)n1.
What is the InChIKey of 6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is KIKAVRWTPCTHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)3-12-5(13)2-1-4(10)11-12/h1-2H,3H2,(H2,10,11).
What are the key properties of 6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 193.13 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 170993906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).