4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one

C18H17ClF2N6O — CID 133281758

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one
SMILESCCc1nc2n(n1)CC(Nc1cnn(-c3ccc(F)cc3F)c(=O)c1Cl)CC2
InChIInChI=1S/C18H17ClF2N6O/c1-2-15-24-16-6-4-11(9-26(16)25-15)23-13-8-22-27(18(28)17(13)19)14-5-3-10(20)7-12(14)21/h3,5,7-8,11,23H,2,4,6,9H2,1H3
InChIKeyOCVHREZIOZRTKW-UHFFFAOYSA-N
MW406.82 g/mol
LogP2.74
Rot. Bonds4

About 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one (PubChem CID 133281758) has the molecular formula C18H17ClF2N6O and a molecular weight of 406.82 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one
PubChem CID133281758
Molecular FormulaC18H17ClF2N6O
Molecular Weight406.82 g/mol
Exact Mass406.11
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one
SMILESCCc1nc2n(n1)CC(Nc1cnn(-c3ccc(F)cc3F)c(=O)c1Cl)CC2
InChIInChI=1S/C18H17ClF2N6O/c1-2-15-24-16-6-4-11(9-26(16)25-15)23-13-8-22-27(18(28)17(13)19)14-5-3-10(20)7-12(14)21/h3,5,7-8,11,23H,2,4,6,9H2,1H3
InChIKeyOCVHREZIOZRTKW-UHFFFAOYSA-N
XLogP2.74
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one with MolForge

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Related Compounds

4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one
CID 133439464
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]pyridazin-3-one
CID 133376491
4-chloro-2-(2,4-difluorophenyl)-5-[[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]pyridazin-3-one
CID 97079097
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]pyridazin-3-one
CID 133353923
7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine
CID 133281768
4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one
CID 133296397
4-chloro-2-(2,4-difluorophenyl)-5-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyridazin-3-one
CID 94414792
4-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122059167
4-chloro-2-(2,4-difluorophenyl)-5-[(4-methylsulfonylphenyl)methylamino]pyridazin-3-one
CID 60502921
(2S)-2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122050240
N-(4-bromo-2-nitrophenyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281746
6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine
CID 133494527

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one (CID 133281758) is 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one is CCc1nc2n(n1)CC(Nc1cnn(-c3ccc(F)cc3F)c(=O)c1Cl)CC2.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one?
The InChIKey is OCVHREZIOZRTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N6O/c1-2-15-24-16-6-4-11(9-26(16)25-15)23-13-8-22-27(18(28)17(13)19)14-5-3-10(20)7-12(14)21/h3,5,7-8,11,23H,2,4,6,9H2,1H3.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one has a molecular weight of 406.82 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one is sourced from PubChem (CID 133281758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).