N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide

C10H11F3N6O — CID 17458580

IUPACN-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C10H11F3N6O/c1-6(20)14-4-5-15-7-2-3-8-16-17-9(10(11,12)13)19(8)18-7/h2-3H,4-5H2,1H3,(H,14,20)(H,15,18)
InChIKeyYTIHWWSZMJSSQJ-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.69
Rot. Bonds4

About N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide

N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide (PubChem CID 17458580) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide
PubChem CID17458580
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC NameN-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C10H11F3N6O/c1-6(20)14-4-5-15-7-2-3-8-16-17-9(10(11,12)13)19(8)18-7/h2-3H,4-5H2,1H3,(H,14,20)(H,15,18)
InChIKeyYTIHWWSZMJSSQJ-UHFFFAOYSA-N
XLogP0.69
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide (CID 17458580) is N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide is CC(=O)NCCNc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide?
The InChIKey is YTIHWWSZMJSSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-6(20)14-4-5-15-7-2-3-8-16-17-9(10(11,12)13)19(8)18-7/h2-3H,4-5H2,1H3,(H,14,20)(H,15,18).
What are the key properties of N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide?
N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide has a molecular weight of 288.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]acetamide is sourced from PubChem (CID 17458580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).