ethyl 4-aminopyridazine-3-carboxylate

C7H9N3O2 — CID 45082617

IUPACethyl 4-aminopyridazine-3-carboxylate
SMILESCCOC(=O)c1nnccc1N
InChIInChI=1S/C7H9N3O2/c1-2-12-7(11)6-5(8)3-4-9-10-6/h3-4H,2H2,1H3,(H2,8,9)
InChIKeyYSNQUZWVVNFVBL-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.24
Rot. Bonds2

About ethyl 4-aminopyridazine-3-carboxylate

ethyl 4-aminopyridazine-3-carboxylate (PubChem CID 45082617) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is ethyl 4-aminopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-aminopyridazine-3-carboxylate
PubChem CID45082617
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Nameethyl 4-aminopyridazine-3-carboxylate
SMILESCCOC(=O)c1nnccc1N
InChIInChI=1S/C7H9N3O2/c1-2-12-7(11)6-5(8)3-4-9-10-6/h3-4H,2H2,1H3,(H2,8,9)
InChIKeyYSNQUZWVVNFVBL-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 4-aminopyridazine-3-carboxylate?
The IUPAC name of ethyl 4-aminopyridazine-3-carboxylate (CID 45082617) is ethyl 4-aminopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-aminopyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-aminopyridazine-3-carboxylate is CCOC(=O)c1nnccc1N.
What is the InChIKey of ethyl 4-aminopyridazine-3-carboxylate?
The InChIKey is YSNQUZWVVNFVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-12-7(11)6-5(8)3-4-9-10-6/h3-4H,2H2,1H3,(H2,8,9).
What are the key properties of ethyl 4-aminopyridazine-3-carboxylate?
ethyl 4-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 4-aminopyridazine-3-carboxylate is sourced from PubChem (CID 45082617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).