ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate

C13H16N4O2 — CID 14542870

IUPACethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate
SMILESCCOC(=O)CCN(c1nnccc1C#N)C1CC1
InChIInChI=1S/C13H16N4O2/c1-2-19-12(18)6-8-17(11-3-4-11)13-10(9-14)5-7-15-16-13/h5,7,11H,2-4,6,8H2,1H3
InChIKeyYMULUHWPQYBTGG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.27
Rot. Bonds6

About ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate

ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate (PubChem CID 14542870) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate
PubChem CID14542870
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate
SMILESCCOC(=O)CCN(c1nnccc1C#N)C1CC1
InChIInChI=1S/C13H16N4O2/c1-2-19-12(18)6-8-17(11-3-4-11)13-10(9-14)5-7-15-16-13/h5,7,11H,2-4,6,8H2,1H3
InChIKeyYMULUHWPQYBTGG-UHFFFAOYSA-N
XLogP1.27
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate?
The IUPAC name of ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate (CID 14542870) is ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate.
What is the SMILES notation for ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate?
The canonical SMILES for ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate is CCOC(=O)CCN(c1nnccc1C#N)C1CC1.
What is the InChIKey of ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate?
The InChIKey is YMULUHWPQYBTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-19-12(18)6-8-17(11-3-4-11)13-10(9-14)5-7-15-16-13/h5,7,11H,2-4,6,8H2,1H3.
What are the key properties of ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate?
ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate has a molecular weight of 260.30 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-cyanopyridazin-3-yl)-cyclopropylamino]propanoate is sourced from PubChem (CID 14542870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).