N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine

C10H10F3N5 — CID 90996363

IUPACN,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine
SMILESCN(C)C=Cc1ccnn2c(C(F)(F)F)nnc12
InChIInChI=1S/C10H10F3N5/c1-17(2)6-4-7-3-5-14-18-8(7)15-16-9(18)10(11,12)13/h3-6H,1-2H3
InChIKeyRADYSPRFUUTOOF-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.68
Rot. Bonds2

About N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine

N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine (PubChem CID 90996363) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine
PubChem CID90996363
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC NameN,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine
SMILESCN(C)C=Cc1ccnn2c(C(F)(F)F)nnc12
InChIInChI=1S/C10H10F3N5/c1-17(2)6-4-7-3-5-14-18-8(7)15-16-9(18)10(11,12)13/h3-6H,1-2H3
InChIKeyRADYSPRFUUTOOF-UHFFFAOYSA-N
XLogP1.68
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine?
The IUPAC name of N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine (CID 90996363) is N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine?
The canonical SMILES for N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine is CN(C)C=Cc1ccnn2c(C(F)(F)F)nnc12.
What is the InChIKey of N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine?
The InChIKey is RADYSPRFUUTOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-17(2)6-4-7-3-5-14-18-8(7)15-16-9(18)10(11,12)13/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine?
N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine has a molecular weight of 257.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]ethenamine is sourced from PubChem (CID 90996363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).