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

C11H11F3N6O — CID 103606806

IUPACN-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
SMILESO=C(CNc1ccc2nnc(C(F)(F)F)n2n1)NC1CC1
InChIInChI=1S/C11H11F3N6O/c12-11(13,14)10-18-17-8-4-3-7(19-20(8)10)15-5-9(21)16-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,19)(H,16,21)
InChIKeyLFOHJRSDYIIPNO-UHFFFAOYSA-N
MW300.24 g/mol
LogP0.83
Rot. Bonds4

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

N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide (PubChem CID 103606806) has the molecular formula C11H11F3N6O and a molecular weight of 300.24 g/mol. Its IUPAC name is N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
PubChem CID103606806
Molecular FormulaC11H11F3N6O
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC NameN-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
SMILESO=C(CNc1ccc2nnc(C(F)(F)F)n2n1)NC1CC1
InChIInChI=1S/C11H11F3N6O/c12-11(13,14)10-18-17-8-4-3-7(19-20(8)10)15-5-9(21)16-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,19)(H,16,21)
InChIKeyLFOHJRSDYIIPNO-UHFFFAOYSA-N
XLogP0.83
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 29131460
N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 104925756
N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950542
3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol
CID 103801573
2-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide
CID 106950548
1,1-difluoro-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propan-2-ol
CID 103731282
methyl (2S)-2-hydroxy-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanoate
CID 97351854
5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pentan-1-ol
CID 107302564
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445
methyl 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butanoate
CID 133350064
N-[(1-methylsulfonylcyclopropyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 146127734
tert-butyl 4-[[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzoate
CID 133326477

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide (CID 103606806) is N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide is O=C(CNc1ccc2nnc(C(F)(F)F)n2n1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The InChIKey is LFOHJRSDYIIPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O/c12-11(13,14)10-18-17-8-4-3-7(19-20(8)10)15-5-9(21)16-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,19)(H,16,21).
What are the key properties of N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide has a molecular weight of 300.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide is sourced from PubChem (CID 103606806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).