5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide

C10H13F3N4O — CID 66276766

IUPAC5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OC(C)C(F)(F)F)nnc(C)c1C
InChIInChI=1S/C10H13F3N4O/c1-4-5(2)16-17-9(7(4)8(14)15)18-6(3)10(11,12)13/h6H,1-3H3,(H3,14,15)
InChIKeyBEZUMCGEGVOYPX-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.71
Rot. Bonds3

About 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide

5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide (PubChem CID 66276766) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide
PubChem CID66276766
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OC(C)C(F)(F)F)nnc(C)c1C
InChIInChI=1S/C10H13F3N4O/c1-4-5(2)16-17-9(7(4)8(14)15)18-6(3)10(11,12)13/h6H,1-3H3,(H3,14,15)
InChIKeyBEZUMCGEGVOYPX-UHFFFAOYSA-N
XLogP1.71
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.71
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-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide (CID 66276766) is 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(OC(C)C(F)(F)F)nnc(C)c1C.
What is the InChIKey of 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide?
The InChIKey is BEZUMCGEGVOYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-4-5(2)16-17-9(7(4)8(14)15)18-6(3)10(11,12)13/h6H,1-3H3,(H3,14,15).
What are the key properties of 5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide?
5,6-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide has a molecular weight of 262.23 g/mol, XLogP of 1.71, 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-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 66276766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).