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

C9H10LiN3O2 — CID 171808546

IUPAClithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate
SMILESO=C([O-])CC1CN(c2ccnnc2)C1.[Li+]
InChIInChI=1S/C9H11N3O2.Li/c13-9(14)3-7-5-12(6-7)8-1-2-10-11-4-8;/h1-2,4,7H,3,5-6H2,(H,13,14);/q;+1/p-1
InChIKeyGHONOGBXIUZYSM-UHFFFAOYSA-M
MW199.14 g/mol
LogP-3.94
Rot. Bonds3

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

lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate (PubChem CID 171808546) has the molecular formula C9H10LiN3O2 and a molecular weight of 199.14 g/mol. Its IUPAC name is lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate.

Molecular Properties

Compound Namelithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate
PubChem CID171808546
Molecular FormulaC9H10LiN3O2
Molecular Weight199.14 g/mol
Exact Mass199.09
IUPAC Namelithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate
SMILESO=C([O-])CC1CN(c2ccnnc2)C1.[Li+]
InChIInChI=1S/C9H11N3O2.Li/c13-9(14)3-7-5-12(6-7)8-1-2-10-11-4-8;/h1-2,4,7H,3,5-6H2,(H,13,14);/q;+1/p-1
InChIKeyGHONOGBXIUZYSM-UHFFFAOYSA-M
XLogP-3.94
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 5-3.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate?
The IUPAC name of lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate (CID 171808546) is lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate.
What is the SMILES notation for lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate?
The canonical SMILES for lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate is O=C([O-])CC1CN(c2ccnnc2)C1.[Li+].
What is the InChIKey of lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate?
The InChIKey is GHONOGBXIUZYSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11N3O2.Li/c13-9(14)3-7-5-12(6-7)8-1-2-10-11-4-8;/h1-2,4,7H,3,5-6H2,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate?
lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate has a molecular weight of 199.14 g/mol, XLogP of -3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(1-pyridazin-4-ylazetidin-3-yl)acetate is sourced from PubChem (CID 171808546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).