ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate

C10H12N2O3 — CID 121205225

IUPACethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)n[nH]c1=O
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)7-5-8(6-3-4-6)11-12-9(7)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyZRMIQQUJTKSAFK-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.82
Rot. Bonds3

About ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate

ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate (PubChem CID 121205225) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
PubChem CID121205225
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)n[nH]c1=O
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)7-5-8(6-3-4-6)11-12-9(7)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyZRMIQQUJTKSAFK-UHFFFAOYSA-N
XLogP0.82
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(difluoromethyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 135201369
ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 121205182
ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate
CID 172556928
ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 138968962
ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate
CID 58818183
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate
CID 116533815
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
CID 116533542
ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate
CID 165398321
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate
CID 71123831

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate?
The IUPAC name of ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate (CID 121205225) is ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate.
What is the SMILES notation for ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate?
The canonical SMILES for ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate is CCOC(=O)c1cc(C2CC2)n[nH]c1=O.
What is the InChIKey of ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate?
The InChIKey is ZRMIQQUJTKSAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-15-10(14)7-5-8(6-3-4-6)11-12-9(7)13/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate?
ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate is sourced from PubChem (CID 121205225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).