methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate

C9H12N2O3 — CID 106548417

IUPACmethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)CCn1ncc(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-7-5-8(12)11(10-6-7)4-3-9(13)14-2/h5-6H,3-4H2,1-2H3
InChIKeyMAODUDQAPGRSBI-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.11
Rot. Bonds3

About methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate

methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate (PubChem CID 106548417) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
PubChem CID106548417
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)CCn1ncc(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-7-5-8(12)11(10-6-7)4-3-9(13)14-2/h5-6H,3-4H2,1-2H3
InChIKeyMAODUDQAPGRSBI-UHFFFAOYSA-N
XLogP0.11
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanoic acid
CID 106548385
Ethyl-3-(3-oxo-2-pyridazinyl)propionate
CID 20300059
Methyl 3-(4-chloro-6-oxopyridazin-1-yl)propanoate
CID 138610690
Methyl 1-ethyl-6-oxopyridazine-4-carboxylate
CID 155228048
Methyl 3-(6-oxopyridazin-1-yl)propanoate
CID 62850480
Ethyl 2-[(6-oxopyridazin-1-yl)methyl]prop-2-enoate
CID 64116287
Methyl 3-(4-iodo-6-oxopyridazin-1(6H)-yl)propanoate
CID 71418085
Methyl 2,2-dimethyl-3-(6-oxopyridazin-1-yl)propanoate
CID 79630347
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
Methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate
CID 86244492
Methyl 3-[4-(3-hydroxyprop-1-ynyl)-6-oxopyridazin-1-yl]propanoate
CID 101403457
Methyl 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548379

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate (CID 106548417) is methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate is COC(=O)CCn1ncc(C)cc1=O.
What is the InChIKey of methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The InChIKey is MAODUDQAPGRSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7-5-8(12)11(10-6-7)4-3-9(13)14-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate?
methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate has a molecular weight of 196.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 106548417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).