2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide

C17H18F3N7O3 — CID 164914340

IUPAC2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)cc1OCCC(F)(F)F
InChIInChI=1S/C17H18F3N7O3/c1-10(2)16-11(30-6-5-17(18,19)20)7-15(29)26(25-16)8-14(28)22-12-3-4-13-23-21-9-27(13)24-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,24,28)
InChIKeyMXHNOXLCEIRHGL-UHFFFAOYSA-N
MW425.37 g/mol
LogP1.77
Rot. Bonds7

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

2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide (PubChem CID 164914340) has the molecular formula C17H18F3N7O3 and a molecular weight of 425.37 g/mol. Its IUPAC name is 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide.

Molecular Properties

Compound Name2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
PubChem CID164914340
Molecular FormulaC17H18F3N7O3
Molecular Weight425.37 g/mol
Exact Mass425.14
IUPAC Name2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)cc1OCCC(F)(F)F
InChIInChI=1S/C17H18F3N7O3/c1-10(2)16-11(30-6-5-17(18,19)20)7-15(29)26(25-16)8-14(28)22-12-3-4-13-23-21-9-27(13)24-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,24,28)
InChIKeyMXHNOXLCEIRHGL-UHFFFAOYSA-N
XLogP1.77
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[6-(2-fluoropropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 162364165
2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 164914138
N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914239
2-(4-chloro-9-oxo-12-propan-2-yl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 170983129
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 171417993
2-[1-oxo-4-propan-2-yl-6-(trifluoromethoxy)phthalazin-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 162364208
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide
CID 164914329
3,3,3-trifluoro-N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)propanehydrazide
CID 4702671
N-(5,5-difluoropent-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914142
2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 172632649
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036620
2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 163219141

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
The IUPAC name of 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide (CID 164914340) is 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide.
What is the SMILES notation for 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
The canonical SMILES for 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide is CC(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)cc1OCCC(F)(F)F.
What is the InChIKey of 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
The InChIKey is MXHNOXLCEIRHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O3/c1-10(2)16-11(30-6-5-17(18,19)20)7-15(29)26(25-16)8-14(28)22-12-3-4-13-23-21-9-27(13)24-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,24,28).
What are the key properties of 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide has a molecular weight of 425.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide is sourced from PubChem (CID 164914340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).