2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen

C13H23N3O3 — CID 164914259

IUPAC2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen
SMILESCC(C)COc1cc(=O)n(CC(N)=O)nc1C(C)C.[H][H]
InChIInChI=1S/C13H21N3O3.H2/c1-8(2)7-19-10-5-12(18)16(6-11(14)17)15-13(10)9(3)4;/h5,8-9H,6-7H2,1-4H3,(H2,14,17);1H
InChIKeyLMLIGWRVYIWJTA-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.13
Rot. Bonds6

About 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen

2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen (PubChem CID 164914259) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen
PubChem CID164914259
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen
SMILESCC(C)COc1cc(=O)n(CC(N)=O)nc1C(C)C.[H][H]
InChIInChI=1S/C13H21N3O3.H2/c1-8(2)7-19-10-5-12(18)16(6-11(14)17)15-13(10)9(3)4;/h5,8-9H,6-7H2,1-4H3,(H2,14,17);1H
InChIKeyLMLIGWRVYIWJTA-UHFFFAOYSA-N
XLogP1.13
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,5-difluoropent-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914142
N-(4-fluorobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914320
2-[4-(2-Methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914125
N-(3-cyanobut-3-enyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914141
N-(3-methylbut-3-enyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914160
N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914171
Ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914172
Ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate
CID 164914188
N-(4-aminobut-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914301
N-[(Z)-3-imino-1-(methylideneamino)prop-1-enyl]-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 171417992
2-[5-Chloro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 175788029
2-(4-Methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide
CID 175959884

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen?
The IUPAC name of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen (CID 164914259) is 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen?
The canonical SMILES for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen is CC(C)COc1cc(=O)n(CC(N)=O)nc1C(C)C.[H][H].
What is the InChIKey of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen?
The InChIKey is LMLIGWRVYIWJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3.H2/c1-8(2)7-19-10-5-12(18)16(6-11(14)17)15-13(10)9(3)4;/h5,8-9H,6-7H2,1-4H3,(H2,14,17);1H.
What are the key properties of 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen?
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen has a molecular weight of 269.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 164914259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).