ethyl 2-(pyridazin-3-ylamino)propanoate

C9H13N3O2 — CID 62481226

IUPACethyl 2-(pyridazin-3-ylamino)propanoate
SMILESCCOC(=O)C(C)Nc1cccnn1
InChIInChI=1S/C9H13N3O2/c1-3-14-9(13)7(2)11-8-5-4-6-10-12-8/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyLDLRBLMRYOUVPQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.84
Rot. Bonds4

About ethyl 2-(pyridazin-3-ylamino)propanoate

ethyl 2-(pyridazin-3-ylamino)propanoate (PubChem CID 62481226) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2-(pyridazin-3-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(pyridazin-3-ylamino)propanoate
PubChem CID62481226
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 2-(pyridazin-3-ylamino)propanoate
SMILESCCOC(=O)C(C)Nc1cccnn1
InChIInChI=1S/C9H13N3O2/c1-3-14-9(13)7(2)11-8-5-4-6-10-12-8/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyLDLRBLMRYOUVPQ-UHFFFAOYSA-N
XLogP0.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyridazin-3-ylamino)propanoate?
The IUPAC name of ethyl 2-(pyridazin-3-ylamino)propanoate (CID 62481226) is ethyl 2-(pyridazin-3-ylamino)propanoate.
What is the SMILES notation for ethyl 2-(pyridazin-3-ylamino)propanoate?
The canonical SMILES for ethyl 2-(pyridazin-3-ylamino)propanoate is CCOC(=O)C(C)Nc1cccnn1.
What is the InChIKey of ethyl 2-(pyridazin-3-ylamino)propanoate?
The InChIKey is LDLRBLMRYOUVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-14-9(13)7(2)11-8-5-4-6-10-12-8/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-(pyridazin-3-ylamino)propanoate?
ethyl 2-(pyridazin-3-ylamino)propanoate has a molecular weight of 195.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyridazin-3-ylamino)propanoate is sourced from PubChem (CID 62481226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).