ethyl 6-aminopyridazine-3-carboxylate

C7H9N3O2 — CID 25067380

IUPACethyl 6-aminopyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N)nn1
InChIInChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3,(H2,8,10)
InChIKeyZVBFSYSSUMGOKQ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.24
Rot. Bonds2

About ethyl 6-aminopyridazine-3-carboxylate

ethyl 6-aminopyridazine-3-carboxylate (PubChem CID 25067380) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is ethyl 6-aminopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-aminopyridazine-3-carboxylate
PubChem CID25067380
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Nameethyl 6-aminopyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N)nn1
InChIInChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3,(H2,8,10)
InChIKeyZVBFSYSSUMGOKQ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 6-aminopyridazine-3-carboxylate?
The IUPAC name of ethyl 6-aminopyridazine-3-carboxylate (CID 25067380) is ethyl 6-aminopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-aminopyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-aminopyridazine-3-carboxylate is CCOC(=O)c1ccc(N)nn1.
What is the InChIKey of ethyl 6-aminopyridazine-3-carboxylate?
The InChIKey is ZVBFSYSSUMGOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3,(H2,8,10).
What are the key properties of ethyl 6-aminopyridazine-3-carboxylate?
ethyl 6-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 6-aminopyridazine-3-carboxylate is sourced from PubChem (CID 25067380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).