4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

C14H8ClF3N4O — CID 58585332

IUPAC4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(-n2ccnc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF3N4O/c15-12-11(21-5-4-19-8-21)7-20-22(13(12)23)10-3-1-2-9(6-10)14(16,17)18/h1-8H
InChIKeyZVCAYCGFJRRCLN-UHFFFAOYSA-N
MW340.69 g/mol
LogP3.09
Rot. Bonds2

About 4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one (PubChem CID 58585332) has the molecular formula C14H8ClF3N4O and a molecular weight of 340.69 g/mol. Its IUPAC name is 4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
PubChem CID58585332
Molecular FormulaC14H8ClF3N4O
Molecular Weight340.69 g/mol
Exact Mass340.03
IUPAC Name4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(-n2ccnc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF3N4O/c15-12-11(21-5-4-19-8-21)7-20-22(13(12)23)10-3-1-2-9(6-10)14(16,17)18/h1-8H
InChIKeyZVCAYCGFJRRCLN-UHFFFAOYSA-N
XLogP3.09
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrrolidine-2-carboxylic acid
CID 122059819
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 71862867
4-chloro-5-(3-methylsulfanylazepan-1-yl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133394997
5-(3-anilinopyrrolidin-1-yl)-4-chloro-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133301471
4-chloro-5-[[(2R)-1-hydroxybutan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133434647
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 2380587
5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123543112
4-chloro-5-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133454205
4-chloro-5-[(3,5-dimethylpyrazolidin-4-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133306073
4-chloro-5-[2-(2-methylphenyl)morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133354112
4-chloro-5-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133445252
N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide
CID 133274906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one (CID 58585332) is 4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one is O=c1c(Cl)c(-n2ccnc2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one?
The InChIKey is ZVCAYCGFJRRCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O/c15-12-11(21-5-4-19-8-21)7-20-22(13(12)23)10-3-1-2-9(6-10)14(16,17)18/h1-8H.
What are the key properties of 4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one?
4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one has a molecular weight of 340.69 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-imidazol-1-yl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 58585332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).