6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C11H13F3N4O — CID 71778507

IUPAC6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)7-15-10(19)8-3-4-9(17-16-8)18-5-1-2-6-18/h3-4H,1-2,5-7H2,(H,15,19)
InChIKeyLDKMCOYQZWPMAR-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.37
Rot. Bonds3

About 6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 71778507) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID71778507
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)7-15-10(19)8-3-4-9(17-16-8)18-5-1-2-6-18/h3-4H,1-2,5-7H2,(H,15,19)
InChIKeyLDKMCOYQZWPMAR-UHFFFAOYSA-N
XLogP1.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 71778507) is 6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is O=C(NCC(F)(F)F)c1ccc(N2CCCC2)nn1.
What is the InChIKey of 6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is LDKMCOYQZWPMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)7-15-10(19)8-3-4-9(17-16-8)18-5-1-2-6-18/h3-4H,1-2,5-7H2,(H,15,19).
What are the key properties of 6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 71778507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).