5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one

C12H10ClF3N4O — CID 167903361

IUPAC5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one
SMILESC[C@@H](Nc1cn[nH]c(=O)c1Cl)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H10ClF3N4O/c1-6(19-8-5-18-20-11(21)10(8)13)7-2-3-9(17-4-7)12(14,15)16/h2-6H,1H3,(H2,19,20,21)/t6-/m1/s1
InChIKeyYMGPHYKKDXQLSR-ZCFIWIBFSA-N
MW318.69 g/mol
LogP3.01
Rot. Bonds3

About 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one

5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one (PubChem CID 167903361) has the molecular formula C12H10ClF3N4O and a molecular weight of 318.69 g/mol. Its IUPAC name is 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one
PubChem CID167903361
Molecular FormulaC12H10ClF3N4O
Molecular Weight318.69 g/mol
Exact Mass318.05
IUPAC Name5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one
SMILESC[C@@H](Nc1cn[nH]c(=O)c1Cl)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H10ClF3N4O/c1-6(19-8-5-18-20-11(21)10(8)13)7-2-3-9(17-4-7)12(14,15)16/h2-6H,1H3,(H2,19,20,21)/t6-/m1/s1
InChIKeyYMGPHYKKDXQLSR-ZCFIWIBFSA-N
XLogP3.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one with MolForge

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Related Compounds

(Z)-4-chloro-5-(2-(pyridin-3-ylmethylene)hydrazinyl)pyridazin-3(2H)-one
CID 5356971
N-(2,4-difluorobenzyl)-3-oxo-6-(pyridin-4-yl)-2,3-dihydropyridazine-4-carboxamide
CID 45272910
N'-[1-(2-pyridinyl)ethylidene]-4-(4-toluidino)butanohydrazide
CID 9704647
2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5399409
N-[(E)-pyridin-4-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6904304
3(2H)-Pyridazinone, 6-(4-(4-pyridinylamino)phenyl)-
CID 3062534
Isonicotinaldehyde (5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)hydrazone
CID 5941382
3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one;hydrochloride
CID 13590237
5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)pyridin-3-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138484037
6-oxo-N'-[1-(3-pyridinyl)ethylidene]-1,6-dihydro-3-pyridazinecarbohydrazide
CID 9616003
4-methyl-3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one;hydrochloride
CID 13812159
4-ethyl-3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one;hydrochloride
CID 13812161

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one (CID 167903361) is 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one is C[C@@H](Nc1cn[nH]c(=O)c1Cl)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one?
The InChIKey is YMGPHYKKDXQLSR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H10ClF3N4O/c1-6(19-8-5-18-20-11(21)10(8)13)7-2-3-9(17-4-7)12(14,15)16/h2-6H,1H3,(H2,19,20,21)/t6-/m1/s1.
What are the key properties of 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one?
5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one has a molecular weight of 318.69 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 167903361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).