ethyl 6-oxo-1-propylpyridazine-3-carboxylate

C10H14N2O3 — CID 78907950

IUPACethyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCC)ccc1=O
InChIInChI=1S/C10H14N2O3/c1-3-7-12-9(13)6-5-8(11-12)10(14)15-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyKNHULTCXQYKGDS-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.83
Rot. Bonds4

About ethyl 6-oxo-1-propylpyridazine-3-carboxylate

ethyl 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 78907950) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID78907950
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCC)ccc1=O
InChIInChI=1S/C10H14N2O3/c1-3-7-12-9(13)6-5-8(11-12)10(14)15-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyKNHULTCXQYKGDS-UHFFFAOYSA-N
XLogP0.83
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of ethyl 6-oxo-1-propylpyridazine-3-carboxylate (CID 78907950) is ethyl 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OCC)ccc1=O.
What is the InChIKey of ethyl 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is KNHULTCXQYKGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-7-12-9(13)6-5-8(11-12)10(14)15-4-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of ethyl 6-oxo-1-propylpyridazine-3-carboxylate?
ethyl 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 78907950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).