N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C13H10F3N5 — CID 563872

IUPACN-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NCc3ccccc3)nn12
InChIInChI=1S/C13H10F3N5/c14-13(15,16)12-19-18-11-7-6-10(20-21(11)12)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,20)
InChIKeyFGJNPLXAXNYICP-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.76
Rot. Bonds3

About N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 563872) has the molecular formula C13H10F3N5 and a molecular weight of 293.25 g/mol. Its IUPAC name is N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID563872
Molecular FormulaC13H10F3N5
Molecular Weight293.25 g/mol
Exact Mass293.09
IUPAC NameN-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NCc3ccccc3)nn12
InChIInChI=1S/C13H10F3N5/c14-13(15,16)12-19-18-11-7-6-10(20-21(11)12)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,20)
InChIKeyFGJNPLXAXNYICP-UHFFFAOYSA-N
XLogP2.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 563872) is N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is FC(F)(F)c1nnc2ccc(NCc3ccccc3)nn12.
What is the InChIKey of N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FGJNPLXAXNYICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5/c14-13(15,16)12-19-18-11-7-6-10(20-21(11)12)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,20).
What are the key properties of N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 293.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 563872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).