ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate

C11H15N3O2 — CID 171808639

IUPACethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate
SMILESCCOC(=O)CC1CN(c2ccnnc2)C1
InChIInChI=1S/C11H15N3O2/c1-2-16-11(15)5-9-7-14(8-9)10-3-4-12-13-6-10/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyROEQUYLBAZYMOU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.87
Rot. Bonds4

About ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate

ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate (PubChem CID 171808639) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate
PubChem CID171808639
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Nameethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate
SMILESCCOC(=O)CC1CN(c2ccnnc2)C1
InChIInChI=1S/C11H15N3O2/c1-2-16-11(15)5-9-7-14(8-9)10-3-4-12-13-6-10/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyROEQUYLBAZYMOU-UHFFFAOYSA-N
XLogP0.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Pyridazin-4-ylazetidin-3-yl)acetic acid
CID 140830521
Ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate
CID 140830659
ethyl N-ethyl-N-pyridazin-4-ylcarbamate
CID 171514159
Iodo 2-(1-pyridazin-4-ylazetidin-3-yl)acetate
CID 171808541
Lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate
CID 171808546
Ethyl 2-[1-(3,6-dichloropyridazin-4-yl)azetidin-3-yl]acetate
CID 171808659
(3R)-1-pyridazin-4-ylpyrrolidine-3-carbaldehyde
CID 172705652
1-Pyridazin-4-ylpiperidine-4-carboxylic acid
CID 71777851
Methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate
CID 168695358

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate?
The IUPAC name of ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate (CID 171808639) is ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate is CCOC(=O)CC1CN(c2ccnnc2)C1.
What is the InChIKey of ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate?
The InChIKey is ROEQUYLBAZYMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-16-11(15)5-9-7-14(8-9)10-3-4-12-13-6-10/h3-4,6,9H,2,5,7-8H2,1H3.
What are the key properties of ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate?
ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate has a molecular weight of 221.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-pyridazin-4-ylazetidin-3-yl)acetate is sourced from PubChem (CID 171808639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).