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

C10H14N2O3 — CID 106548438

IUPACethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)CCn1ncc(C)cc1=O
InChIInChI=1S/C10H14N2O3/c1-3-15-10(14)4-5-12-9(13)6-8(2)7-11-12/h6-7H,3-5H2,1-2H3
InChIKeyIDWLCAHXUAZGCE-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.50
Rot. Bonds4

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

ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate (PubChem CID 106548438) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
PubChem CID106548438
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)CCn1ncc(C)cc1=O
InChIInChI=1S/C10H14N2O3/c1-3-15-10(14)4-5-12-9(13)6-8(2)7-11-12/h6-7H,3-5H2,1-2H3
InChIKeyIDWLCAHXUAZGCE-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

Ethyl-3-(3-oxo-2-pyridazinyl)propionate
CID 20300059
Ethyl 1-methyl-6-oxo-1,6-dihydropyridazine-4-carboxylate
CID 59006703
ethyl 2-[4-methyl-6-oxopyridazin-1(6H)-yl]propanoate
CID 66939398
ethyl [4-methyl-6-oxopyridazin-1(6H)-yl]acetate
CID 77231410
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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate (CID 106548438) is ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate is CCOC(=O)CCn1ncc(C)cc1=O.
What is the InChIKey of ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The InChIKey is IDWLCAHXUAZGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-15-10(14)4-5-12-9(13)6-8(2)7-11-12/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate?
ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate 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 ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 106548438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).