ethyl 5-aminopyridazine-3-carboxylate

C7H9N3O2 — CID 58897536

IUPACethyl 5-aminopyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnn1
InChIInChI=1S/C7H9N3O2/c1-2-12-7(11)6-3-5(8)4-9-10-6/h3-4H,2H2,1H3,(H2,8,10)
InChIKeyRZTMRBOCCHNLMA-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.24
Rot. Bonds2

About ethyl 5-aminopyridazine-3-carboxylate

ethyl 5-aminopyridazine-3-carboxylate (PubChem CID 58897536) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is ethyl 5-aminopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-aminopyridazine-3-carboxylate
PubChem CID58897536
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Nameethyl 5-aminopyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnn1
InChIInChI=1S/C7H9N3O2/c1-2-12-7(11)6-3-5(8)4-9-10-6/h3-4H,2H2,1H3,(H2,8,10)
InChIKeyRZTMRBOCCHNLMA-UHFFFAOYSA-N
XLogP0.24
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methylpyridazine-3-carboxylate
CID 150390069
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
diethyl 3-iodopyridazine-4,5-dicarboxylate
CID 11405390
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 4-aminobenzoate
CID 2337
ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 106098243
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
5-ethoxycarbonylpyrazine-2-carboxylate
CID 86656579

Frequently Asked Questions

What is the IUPAC name of ethyl 5-aminopyridazine-3-carboxylate?
The IUPAC name of ethyl 5-aminopyridazine-3-carboxylate (CID 58897536) is ethyl 5-aminopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 5-aminopyridazine-3-carboxylate?
The canonical SMILES for ethyl 5-aminopyridazine-3-carboxylate is CCOC(=O)c1cc(N)cnn1.
What is the InChIKey of ethyl 5-aminopyridazine-3-carboxylate?
The InChIKey is RZTMRBOCCHNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-12-7(11)6-3-5(8)4-9-10-6/h3-4H,2H2,1H3,(H2,8,10).
What are the key properties of ethyl 5-aminopyridazine-3-carboxylate?
ethyl 5-aminopyridazine-3-carboxylate has a molecular weight of 167.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-aminopyridazine-3-carboxylate is sourced from PubChem (CID 58897536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).