N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide

C19H15ClF3N7O2 — CID 163219185

IUPACN-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
SMILESCC(C)n1nc(CC(=O)Nc2ccc3nnc(Cl)n3n2)c(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H15ClF3N7O2/c1-9(2)29-13-7-10(19(21,22)23)3-4-11(13)17(32)12(27-29)8-16(31)24-14-5-6-15-25-26-18(20)30(15)28-14/h3-7,9H,8H2,1-2H3,(H,24,28,31)
InChIKeyAJUKFNQSHPYTOQ-UHFFFAOYSA-N
MW465.82 g/mol
LogP3.27
Rot. Bonds4

About N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide

N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide (PubChem CID 163219185) has the molecular formula C19H15ClF3N7O2 and a molecular weight of 465.82 g/mol. Its IUPAC name is N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
PubChem CID163219185
Molecular FormulaC19H15ClF3N7O2
Molecular Weight465.82 g/mol
Exact Mass465.09
IUPAC NameN-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
SMILESCC(C)n1nc(CC(=O)Nc2ccc3nnc(Cl)n3n2)c(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H15ClF3N7O2/c1-9(2)29-13-7-10(19(21,22)23)3-4-11(13)17(32)12(27-29)8-16(31)24-14-5-6-15-25-26-18(20)30(15)28-14/h3-7,9H,8H2,1-2H3,(H,24,28,31)
InChIKeyAJUKFNQSHPYTOQ-UHFFFAOYSA-N
XLogP3.27
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.82
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide with MolForge

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Related Compounds

N-[6-(difluoromethyl)pyridazin-3-yl]-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
CID 163219078
2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 163219141
N-(6-amino-1-methanimidoylpyridin-1-ium-3-yl)-2-[1-butan-2-yl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]acetamide
CID 163218920
2-(7-bromo-4-oxo-1-propan-2-ylcinnolin-3-yl)acetic acid
CID 163204502
2-[1-ethyl-7-(2-fluoropropan-2-yl)-4-oxocinnolin-3-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 163219164
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310
2-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide
CID 106950548
1-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 117122110
N-[6-chloro-2-(1-hydroxypropan-2-yl)-1-oxoisoquinolin-5-yl]-2-[2-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 90708841
methyl 2-[1-ethyl-7-(2-fluoropropan-2-yl)-4-oxocinnolin-3-yl]acetate
CID 163219127
N-[(1R)-1-(3-chloro-5-methylphenyl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 174341137
2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
CID 162364299

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
The IUPAC name of N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide (CID 163219185) is N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide is CC(C)n1nc(CC(=O)Nc2ccc3nnc(Cl)n3n2)c(=O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
The InChIKey is AJUKFNQSHPYTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N7O2/c1-9(2)29-13-7-10(19(21,22)23)3-4-11(13)17(32)12(27-29)8-16(31)24-14-5-6-15-25-26-18(20)30(15)28-14/h3-7,9H,8H2,1-2H3,(H,24,28,31).
What are the key properties of N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide has a molecular weight of 465.82 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide is sourced from PubChem (CID 163219185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).