2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid

C9H11N3O2 — CID 140830521

IUPAC2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(c2ccnnc2)C1
InChIInChI=1S/C9H11N3O2/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)
InChIKeyFVYCQNKYRMFWDI-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.39
Rot. Bonds3

About 2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid

2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid (PubChem CID 140830521) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid
PubChem CID140830521
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(c2ccnnc2)C1
InChIInChI=1S/C9H11N3O2/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)
InChIKeyFVYCQNKYRMFWDI-UHFFFAOYSA-N
XLogP0.39
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid (CID 140830521) is 2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid is O=C(O)CC1CN(c2ccnnc2)C1.
What is the InChIKey of 2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid?
The InChIKey is FVYCQNKYRMFWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/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).
What are the key properties of 2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid?
2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid has a molecular weight of 193.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridazin-4-ylazetidin-3-yl)acetic acid is sourced from PubChem (CID 140830521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).