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

C8H10N2O3 — CID 106548424

IUPACmethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncc(C)cc1=O
InChIInChI=1S/C8H10N2O3/c1-6-3-7(11)10(9-4-6)5-8(12)13-2/h3-4H,5H2,1-2H3
InChIKeyQGAWUWVDOFPLHD-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.28
Rot. Bonds2

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

methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate (PubChem CID 106548424) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
PubChem CID106548424
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncc(C)cc1=O
InChIInChI=1S/C8H10N2O3/c1-6-3-7(11)10(9-4-6)5-8(12)13-2/h3-4H,5H2,1-2H3
InChIKeyQGAWUWVDOFPLHD-UHFFFAOYSA-N
XLogP-0.28
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
N-methyl-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 131176187
2-[(4-methyl-6-oxopyridazin-1-yl)methyl]prop-2-enoic acid
CID 106548460
N-(2-hydroxyethyl)-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 106548842
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
methyl 2-(5-methylindazol-1-yl)acetate
CID 13337773
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548770
2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548757
2-(3-hydroxybutyl)-5-methylpyridazin-3-one
CID 106548855
2-(2-aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528
2-(4-aminobutyl)-5-methylpyridazin-3-one
CID 106548370
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate (CID 106548424) is methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate is COC(=O)Cn1ncc(C)cc1=O.
What is the InChIKey of methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate?
The InChIKey is QGAWUWVDOFPLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6-3-7(11)10(9-4-6)5-8(12)13-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate?
methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate has a molecular weight of 182.18 g/mol, XLogP of -0.28, 2 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)acetate is sourced from PubChem (CID 106548424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).