N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine

C10H10F3N5 — CID 91239321

IUPACN,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine
SMILESCN(C)C=Cc1cnn2c(C(F)(F)F)nnc2c1
InChIInChI=1S/C10H10F3N5/c1-17(2)4-3-7-5-8-15-16-9(10(11,12)13)18(8)14-6-7/h3-6H,1-2H3
InChIKeyPVJCJKXWTIBWTB-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-7-yl]ethenamine

N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine (PubChem CID 91239321) 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-7-yl]ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine
PubChem CID91239321
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-7-yl]ethenamine
SMILESCN(C)C=Cc1cnn2c(C(F)(F)F)nnc2c1
InChIInChI=1S/C10H10F3N5/c1-17(2)4-3-7-5-8-15-16-9(10(11,12)13)18(8)14-6-7/h3-6H,1-2H3
InChIKeyPVJCJKXWTIBWTB-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-7-yl]ethenamine?
The IUPAC name of N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine (CID 91239321) is N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine?
The canonical SMILES for N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine is CN(C)C=Cc1cnn2c(C(F)(F)F)nnc2c1.
What is the InChIKey of N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine?
The InChIKey is PVJCJKXWTIBWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-17(2)4-3-7-5-8-15-16-9(10(11,12)13)18(8)14-6-7/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]ethenamine?
N,N-dimethyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-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-7-yl]ethenamine is sourced from PubChem (CID 91239321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).