ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate

C12H18N2O4 — CID 164914188

IUPACethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C(C)C)c(OC)cc1=O
InChIInChI=1S/C12H18N2O4/c1-5-18-11(16)7-14-10(15)6-9(17-4)12(13-14)8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyDEORLVRMWHDPPJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.94
Rot. Bonds5

About ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate

ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate (PubChem CID 164914188) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate
PubChem CID164914188
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C(C)C)c(OC)cc1=O
InChIInChI=1S/C12H18N2O4/c1-5-18-11(16)7-14-10(15)6-9(17-4)12(13-14)8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyDEORLVRMWHDPPJ-UHFFFAOYSA-N
XLogP0.94
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate (CID 164914188) is ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate is CCOC(=O)Cn1nc(C(C)C)c(OC)cc1=O.
What is the InChIKey of ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate?
The InChIKey is DEORLVRMWHDPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-5-18-11(16)7-14-10(15)6-9(17-4)12(13-14)8(2)3/h6,8H,5,7H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate?
ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate has a molecular weight of 254.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate is sourced from PubChem (CID 164914188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).