2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H11F3N6O — CID 100671198

IUPAC2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc2ccc(NCC(=O)NCC(F)(F)F)nn2n1
InChIInChI=1S/C10H11F3N6O/c1-6-16-8-3-2-7(18-19(8)17-6)14-4-9(20)15-5-10(11,12)13/h2-3H,4-5H2,1H3,(H,14,18)(H,15,20)
InChIKeyYXCAIFXVTWGVFD-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.52
Rot. Bonds4

About 2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 100671198) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID100671198
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc2ccc(NCC(=O)NCC(F)(F)F)nn2n1
InChIInChI=1S/C10H11F3N6O/c1-6-16-8-3-2-7(18-19(8)17-6)14-4-9(20)15-5-10(11,12)13/h2-3H,4-5H2,1H3,(H,14,18)(H,15,20)
InChIKeyYXCAIFXVTWGVFD-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 100671198) is 2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc2ccc(NCC(=O)NCC(F)(F)F)nn2n1.
What is the InChIKey of 2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YXCAIFXVTWGVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-6-16-8-3-2-7(18-19(8)17-6)14-4-9(20)15-5-10(11,12)13/h2-3H,4-5H2,1H3,(H,14,18)(H,15,20).
What are the key properties of 2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 288.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 100671198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).