ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate

C11H14ClN3O2 — CID 140830659

IUPACethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate
SMILESCCOC(=O)CC1CN(c2cnnc(Cl)c2)C1
InChIInChI=1S/C11H14ClN3O2/c1-2-17-11(16)3-8-6-15(7-8)9-4-10(12)14-13-5-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNJTAGIUVYZCVEB-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.52
Rot. Bonds4

About ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate

ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate (PubChem CID 140830659) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate
PubChem CID140830659
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Nameethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate
SMILESCCOC(=O)CC1CN(c2cnnc(Cl)c2)C1
InChIInChI=1S/C11H14ClN3O2/c1-2-17-11(16)3-8-6-15(7-8)9-4-10(12)14-13-5-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNJTAGIUVYZCVEB-UHFFFAOYSA-N
XLogP1.52
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate (CID 140830659) is ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate is CCOC(=O)CC1CN(c2cnnc(Cl)c2)C1.
What is the InChIKey of ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate?
The InChIKey is NJTAGIUVYZCVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-2-17-11(16)3-8-6-15(7-8)9-4-10(12)14-13-5-9/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate?
ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate has a molecular weight of 255.70 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(6-chloropyridazin-4-yl)azetidin-3-yl]acetate is sourced from PubChem (CID 140830659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).