methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate

C12H18N2O3 — CID 106548388

IUPACmethyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate
SMILESCCCCC(C(=O)OC)n1ncc(C)cc1=O
InChIInChI=1S/C12H18N2O3/c1-4-5-6-10(12(16)17-3)14-11(15)7-9(2)8-13-14/h7-8,10H,4-6H2,1-3H3
InChIKeyAJTRYCWOHMIIIH-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.46
Rot. Bonds5

About methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate

methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate (PubChem CID 106548388) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate
PubChem CID106548388
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate
SMILESCCCCC(C(=O)OC)n1ncc(C)cc1=O
InChIInChI=1S/C12H18N2O3/c1-4-5-6-10(12(16)17-3)14-11(15)7-9(2)8-13-14/h7-8,10H,4-6H2,1-3H3
InChIKeyAJTRYCWOHMIIIH-UHFFFAOYSA-N
XLogP1.46
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-(3-chloro-4-methyl-6-oxopyridazin-1-yl)-3-cyclopropylpropanoate
CID 170027288
methyl (2S)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
CID 28333701
methyl (2R)-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
CID 28333703
methyl 2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]hexanoate
CID 45223116
6-(4-Methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106548378
Ethyl 2-(4-methyl-6-oxopyridazin-1-yl)pentanoate
CID 106548402
Ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548434
Methyl 2-cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548435
2-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548444
2-(4-Methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106548452
Ethyl 6-(4-methyl-6-oxopyridazin-1-yl)hexanoate
CID 113848128

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate?
The IUPAC name of methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate (CID 106548388) is methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate.
What is the SMILES notation for methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate?
The canonical SMILES for methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate is CCCCC(C(=O)OC)n1ncc(C)cc1=O.
What is the InChIKey of methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate?
The InChIKey is AJTRYCWOHMIIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-5-6-10(12(16)17-3)14-11(15)7-9(2)8-13-14/h7-8,10H,4-6H2,1-3H3.
What are the key properties of methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate?
methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate has a molecular weight of 238.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate is sourced from PubChem (CID 106548388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).