methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate

C10H14N2O3 — CID 106548425

IUPACmethyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate
SMILESCOC(=O)CCCn1ncc(C)cc1=O
InChIInChI=1S/C10H14N2O3/c1-8-6-9(13)12(11-7-8)5-3-4-10(14)15-2/h6-7H,3-5H2,1-2H3
InChIKeyZHZOKCSUFCZMAQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.50
Rot. Bonds4

About methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate

methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate (PubChem CID 106548425) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate
PubChem CID106548425
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate
SMILESCOC(=O)CCCn1ncc(C)cc1=O
InChIInChI=1S/C10H14N2O3/c1-8-6-9(13)12(11-7-8)5-3-4-10(14)15-2/h6-7H,3-5H2,1-2H3
InChIKeyZHZOKCSUFCZMAQ-UHFFFAOYSA-N
XLogP0.50
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(5-methyl-3-oxo-2-prop-2-enylpyridazin-4-yl)acetate
CID 142690362
Methyl 4-(6-oxopyridazin-1-yl)butanoate
CID 62851009
Methyl 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548379
4-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548395
Methyl 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548398
Ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548407
Methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548417
4-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548419
Ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548438
Methyl 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548448
Methyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548459
Ethyl 4-(4-methyl-6-oxopyridazin-1-yl)-3-oxobutanoate
CID 106548802

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate?
The IUPAC name of methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate (CID 106548425) is methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate?
The canonical SMILES for methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate is COC(=O)CCCn1ncc(C)cc1=O.
What is the InChIKey of methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate?
The InChIKey is ZHZOKCSUFCZMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-8-6-9(13)12(11-7-8)5-3-4-10(14)15-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate?
methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate has a molecular weight of 210.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate is sourced from PubChem (CID 106548425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).