5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide

C10H14F3N5 — CID 61092160

IUPAC5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CC(F)(F)F)nnc(C)c1C
InChIInChI=1S/C10H14F3N5/c1-5-6(2)16-17-9(7(5)8(14)15)18(3)4-10(11,12)13/h4H2,1-3H3,(H3,14,15)
InChIKeyKCGJSFAHKQWQQS-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.38
Rot. Bonds3

About 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide

5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide (PubChem CID 61092160) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide
PubChem CID61092160
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CC(F)(F)F)nnc(C)c1C
InChIInChI=1S/C10H14F3N5/c1-5-6(2)16-17-9(7(5)8(14)15)18(3)4-10(11,12)13/h4H2,1-3H3,(H3,14,15)
InChIKeyKCGJSFAHKQWQQS-UHFFFAOYSA-N
XLogP1.38
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.38
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-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide (CID 61092160) is 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N(C)CC(F)(F)F)nnc(C)c1C.
What is the InChIKey of 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide?
The InChIKey is KCGJSFAHKQWQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c1-5-6(2)16-17-9(7(5)8(14)15)18(3)4-10(11,12)13/h4H2,1-3H3,(H3,14,15).
What are the key properties of 5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide?
5,6-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide has a molecular weight of 261.25 g/mol, XLogP of 1.38, 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-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 61092160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).