ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate

C15H22N2O4 — CID 164914215

IUPACethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(C)C)c(OCC2CC2)cc1=O
InChIInChI=1S/C15H22N2O4/c1-4-20-14(19)8-17-13(18)7-12(15(16-17)10(2)3)21-9-11-5-6-11/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyLYAGOBSTNAWPES-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.72
Rot. Bonds7

About ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate

ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate (PubChem CID 164914215) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
PubChem CID164914215
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(C)C)c(OCC2CC2)cc1=O
InChIInChI=1S/C15H22N2O4/c1-4-20-14(19)8-17-13(18)7-12(15(16-17)10(2)3)21-9-11-5-6-11/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyLYAGOBSTNAWPES-UHFFFAOYSA-N
XLogP1.72
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-[4-(2,2-difluoropropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914074
Ethyl 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]acetate
CID 164914098
Ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-yl-5-(trifluoromethyl)pyridazin-1-yl]acetate
CID 164914161
Ethyl 2-[5-(difluoromethyl)-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914232
Ethyl 2-[5-chloro-6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]acetate
CID 164914238
Ethyl 2-[5-chloro-6-oxo-3-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyridazin-1-yl]acetate
CID 164914246
2-[5-Fluoro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetic acid
CID 164914274
Ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914294
Ethyl 2-[5-fluoro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914295
Ethyl 2-[5-chloro-4-(2,2-difluoropropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914316
Methyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate
CID 162432212
Methyl 2-(4-methoxy-6-oxo-3-prop-1-en-2-ylpyridazin-1-yl)acetate
CID 162432303

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate (CID 164914215) is ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate is CCOC(=O)Cn1nc(C(C)C)c(OCC2CC2)cc1=O.
What is the InChIKey of ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The InChIKey is LYAGOBSTNAWPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-20-14(19)8-17-13(18)7-12(15(16-17)10(2)3)21-9-11-5-6-11/h7,10-11H,4-6,8-9H2,1-3H3.
What are the key properties of ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate has a molecular weight of 294.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(cyclopropylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate is sourced from PubChem (CID 164914215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).