2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C13H20ClN3O3 — CID 175788029

IUPAC2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)COc1c(C(C)C)nn(CC(N)=O)c(=O)c1Cl
InChIInChI=1S/C13H20ClN3O3/c1-7(2)6-20-12-10(14)13(19)17(5-9(15)18)16-11(12)8(3)4/h7-8H,5-6H2,1-4H3,(H2,15,18)
InChIKeyYHCXELAXVBNMOU-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.54
Rot. Bonds6

About 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 175788029) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID175788029
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)COc1c(C(C)C)nn(CC(N)=O)c(=O)c1Cl
InChIInChI=1S/C13H20ClN3O3/c1-7(2)6-20-12-10(14)13(19)17(5-9(15)18)16-11(12)8(3)4/h7-8H,5-6H2,1-4H3,(H2,15,18)
InChIKeyYHCXELAXVBNMOU-UHFFFAOYSA-N
XLogP1.54
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-Methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914125
Ethyl 2-(5-chloro-6-oxo-3-propan-2-yl-4-propoxypyridazin-1-yl)acetate
CID 164914250
2-[4-(2-Methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen
CID 164914259
Ethyl 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914313
2-(4-Methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide
CID 175959884

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 175788029) is 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is CC(C)COc1c(C(C)C)nn(CC(N)=O)c(=O)c1Cl.
What is the InChIKey of 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is YHCXELAXVBNMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3/c1-7(2)6-20-12-10(14)13(19)17(5-9(15)18)16-11(12)8(3)4/h7-8H,5-6H2,1-4H3,(H2,15,18).
What are the key properties of 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 301.77 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 175788029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).