5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide

C9H11F3N4O — CID 61091788

IUPAC5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCC(F)(F)F)nnc(C)c1C
InChIInChI=1S/C9H11F3N4O/c1-4-5(2)15-16-8(6(4)7(13)14)17-3-9(10,11)12/h3H2,1-2H3,(H3,13,14)
InChIKeyUQGGWPVACYBJJR-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.32
Rot. Bonds3

About 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide

5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide (PubChem CID 61091788) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide
PubChem CID61091788
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCC(F)(F)F)nnc(C)c1C
InChIInChI=1S/C9H11F3N4O/c1-4-5(2)15-16-8(6(4)7(13)14)17-3-9(10,11)12/h3H2,1-2H3,(H3,13,14)
InChIKeyUQGGWPVACYBJJR-UHFFFAOYSA-N
XLogP1.32
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide (CID 61091788) is 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(OCC(F)(F)F)nnc(C)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide?
The InChIKey is UQGGWPVACYBJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-4-5(2)15-16-8(6(4)7(13)14)17-3-9(10,11)12/h3H2,1-2H3,(H3,13,14).
What are the key properties of 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide?
5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide has a molecular weight of 248.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 61091788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).