N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide

C16H19FN6O2S — CID 133296185

IUPACN-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ccc2nnc(-c3ccccc3F)n2n1)NS(C)(=O)=O
InChIInChI=1S/C16H19FN6O2S/c1-16(2,22-26(3,24)25)10-18-13-8-9-14-19-20-15(23(14)21-13)11-6-4-5-7-12(11)17/h4-9,22H,10H2,1-3H3,(H,18,21)
InChIKeyDUFITSBCUBBVCQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.67
Rot. Bonds6

About N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 133296185) has the molecular formula C16H19FN6O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID133296185
Molecular FormulaC16H19FN6O2S
Molecular Weight378.43 g/mol
Exact Mass378.13
IUPAC NameN-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ccc2nnc(-c3ccccc3F)n2n1)NS(C)(=O)=O
InChIInChI=1S/C16H19FN6O2S/c1-16(2,22-26(3,24)25)10-18-13-8-9-14-19-20-15(23(14)21-13)11-6-4-5-7-12(11)17/h4-9,22H,10H2,1-3H3,(H,18,21)
InChIKeyDUFITSBCUBBVCQ-UHFFFAOYSA-N
XLogP1.67
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine
CID 133429685
N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine
CID 133309787
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133474592
3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 75477278
N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 47072300
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777
2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide
CID 133443774
5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol
CID 133430213
3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47072288
3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 133354947
3-(2-fluorophenyl)-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95153932
3-(2-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133353323

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide (CID 133296185) is N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1ccc2nnc(-c3ccccc3F)n2n1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is DUFITSBCUBBVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O2S/c1-16(2,22-26(3,24)25)10-18-13-8-9-14-19-20-15(23(14)21-13)11-6-4-5-7-12(11)17/h4-9,22H,10H2,1-3H3,(H,18,21).
What are the key properties of N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 378.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 133296185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).