5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

C18H16ClF3N6O — CID 138471903

IUPAC5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESCC(c1ccccc1C(F)(F)F)n1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H16ClF3N6O/c1-10(11-4-2-3-5-12(11)18(20,21)22)28-14-6-7-27(9-13(14)24-26-28)15-8-23-25-17(29)16(15)19/h2-5,8,10H,6-7,9H2,1H3,(H,25,29)
InChIKeyPFISXFPTWXIRJJ-UHFFFAOYSA-N
MW424.81 g/mol
LogP3.21
Rot. Bonds3

About 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (PubChem CID 138471903) has the molecular formula C18H16ClF3N6O and a molecular weight of 424.81 g/mol. Its IUPAC name is 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
PubChem CID138471903
Molecular FormulaC18H16ClF3N6O
Molecular Weight424.81 g/mol
Exact Mass424.10
IUPAC Name5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESCC(c1ccccc1C(F)(F)F)n1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H16ClF3N6O/c1-10(11-4-2-3-5-12(11)18(20,21)22)28-14-6-7-27(9-13(14)24-26-28)15-8-23-25-17(29)16(15)19/h2-5,8,10H,6-7,9H2,1H3,(H,25,29)
InChIKeyPFISXFPTWXIRJJ-UHFFFAOYSA-N
XLogP3.21
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

6-oxo-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazine-5-carbonitrile
CID 138471989
5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138471784
5-chloro-4-[1-[1-[4-fluoro-5-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 162572640
5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818874
5-chloro-4-[4-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138471944
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138484033
4-[3-[(1S)-1-amino-2,2,2-trifluoroethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-chloro-1H-pyridazin-6-one
CID 138471777
4-[5-amino-4-[amino-[1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-3,6-dihydro-2H-pyridin-1-yl]-5-chloro-1H-pyridazin-6-one
CID 142546781
5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818831
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 168818836
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-[fluoro(iodo)methyl]phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
CID 138484294
4-[5-amino-4-[amino-[1-[2-(difluoromethyl)phenyl]ethyl]amino]-3,6-dihydro-2H-pyridin-1-yl]-5-chloro-1H-pyridazin-6-one
CID 142546851

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (CID 138471903) is 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is CC(c1ccccc1C(F)(F)F)n1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The InChIKey is PFISXFPTWXIRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N6O/c1-10(11-4-2-3-5-12(11)18(20,21)22)28-14-6-7-27(9-13(14)24-26-28)15-8-23-25-17(29)16(15)19/h2-5,8,10H,6-7,9H2,1H3,(H,25,29).
What are the key properties of 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one has a molecular weight of 424.81 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138471903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).