6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C11H17F3N4 — CID 62282476

IUPAC6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCNCc1ccc(N(CC(F)(F)F)C(C)C)nn1
InChIInChI=1S/C11H17F3N4/c1-8(2)18(7-11(12,13)14)10-5-4-9(6-15-3)16-17-10/h4-5,8,15H,6-7H2,1-3H3
InChIKeyUXHFZILHJGTEER-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.97
Rot. Bonds5

About 6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 62282476) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID62282476
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCNCc1ccc(N(CC(F)(F)F)C(C)C)nn1
InChIInChI=1S/C11H17F3N4/c1-8(2)18(7-11(12,13)14)10-5-4-9(6-15-3)16-17-10/h4-5,8,15H,6-7H2,1-3H3
InChIKeyUXHFZILHJGTEER-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 62282476) is 6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CNCc1ccc(N(CC(F)(F)F)C(C)C)nn1.
What is the InChIKey of 6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is UXHFZILHJGTEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-8(2)18(7-11(12,13)14)10-5-4-9(6-15-3)16-17-10/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 262.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 62282476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).