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

C15H12F4N6O — CID 17416959

IUPACN-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C15H12F4N6O/c1-24(8-13(26)20-10-4-2-9(16)3-5-10)12-7-6-11-21-22-14(15(17,18)19)25(11)23-12/h2-7H,8H2,1H3,(H,20,26)
InChIKeyLAFOKBWRPUKCJR-UHFFFAOYSA-N
MW368.29 g/mol
LogP2.36
Rot. Bonds4

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

N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide (PubChem CID 17416959) has the molecular formula C15H12F4N6O and a molecular weight of 368.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
PubChem CID17416959
Molecular FormulaC15H12F4N6O
Molecular Weight368.29 g/mol
Exact Mass368.10
IUPAC NameN-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C15H12F4N6O/c1-24(8-13(26)20-10-4-2-9(16)3-5-10)12-7-6-11-21-22-14(15(17,18)19)25(11)23-12/h2-7H,8H2,1H3,(H,20,26)
InChIKeyLAFOKBWRPUKCJR-UHFFFAOYSA-N
XLogP2.36
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 133424487
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-fluorophenyl)propanamide
CID 20903929
N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133276822
N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133398471
4-fluoro-N-[4-[1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]phenyl]benzamide
CID 60521206
N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24587613
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51300894
N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133417104
N-(4-fluorophenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 4877465
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
N-[4-(diethylamino)phenyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 46567401

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide (CID 17416959) is N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide is CN(CC(=O)Nc1ccc(F)cc1)c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The InChIKey is LAFOKBWRPUKCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N6O/c1-24(8-13(26)20-10-4-2-9(16)3-5-10)12-7-6-11-21-22-14(15(17,18)19)25(11)23-12/h2-7H,8H2,1H3,(H,20,26).
What are the key properties of N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide has a molecular weight of 368.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide is sourced from PubChem (CID 17416959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).