2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C18H23N7O3 — CID 171417993

IUPAC2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(C)COc1cc(=O)n(CC(=O)Nc2nc3ncccn3n2)nc1C(C)C
InChIInChI=1S/C18H23N7O3/c1-11(2)10-28-13-8-15(27)25(22-16(13)12(3)4)9-14(26)20-17-21-18-19-6-5-7-24(18)23-17/h5-8,11-12H,9-10H2,1-4H3,(H,20,23,26)
InChIKeyMNRKNEUDXUUFDT-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.48
Rot. Bonds7

About 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 171417993) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID171417993
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(C)COc1cc(=O)n(CC(=O)Nc2nc3ncccn3n2)nc1C(C)C
InChIInChI=1S/C18H23N7O3/c1-11(2)10-28-13-8-15(27)25(22-16(13)12(3)4)9-14(26)20-17-21-18-19-6-5-7-24(18)23-17/h5-8,11-12H,9-10H2,1-4H3,(H,20,23,26)
InChIKeyMNRKNEUDXUUFDT-UHFFFAOYSA-N
XLogP1.48
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of 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) is 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CC(C)COc1cc(=O)n(CC(=O)Nc2nc3ncccn3n2)nc1C(C)C.
What is the InChIKey of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is MNRKNEUDXUUFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-11(2)10-28-13-8-15(27)25(22-16(13)12(3)4)9-14(26)20-17-21-18-19-6-5-7-24(18)23-17/h5-8,11-12H,9-10H2,1-4H3,(H,20,23,26).
What are the key properties of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 385.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 171417993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).