N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide

C13H6Cl3F2N5O — CID 167974015

IUPACN-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide
SMILESO=C(Nc1nnc2ccc(Cl)nn12)C(F)(F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl3F2N5O/c14-6-1-2-8(15)7(5-6)13(17,18)11(24)19-12-21-20-10-4-3-9(16)22-23(10)12/h1-5H,(H,19,21,24)
InChIKeyLEFOFZSEVXYJQA-UHFFFAOYSA-N
MW392.58 g/mol
LogP3.82
Rot. Bonds3

About N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide

N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide (PubChem CID 167974015) has the molecular formula C13H6Cl3F2N5O and a molecular weight of 392.58 g/mol. Its IUPAC name is N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide
PubChem CID167974015
Molecular FormulaC13H6Cl3F2N5O
Molecular Weight392.58 g/mol
Exact Mass390.96
IUPAC NameN-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide
SMILESO=C(Nc1nnc2ccc(Cl)nn12)C(F)(F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl3F2N5O/c14-6-1-2-8(15)7(5-6)13(17,18)11(24)19-12-21-20-10-4-3-9(16)22-23(10)12/h1-5H,(H,19,21,24)
InChIKeyLEFOFZSEVXYJQA-UHFFFAOYSA-N
XLogP3.82
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide?
The IUPAC name of N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide (CID 167974015) is N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide is O=C(Nc1nnc2ccc(Cl)nn12)C(F)(F)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide?
The InChIKey is LEFOFZSEVXYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F2N5O/c14-6-1-2-8(15)7(5-6)13(17,18)11(24)19-12-21-20-10-4-3-9(16)22-23(10)12/h1-5H,(H,19,21,24).
What are the key properties of N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide?
N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide has a molecular weight of 392.58 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-2-(2,5-dichlorophenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 167974015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).