2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone

C7H11N5O2 — CID 112531389

IUPAC2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESNc1cn(CC(=O)N2CC(O)C2)nn1
InChIInChI=1S/C7H11N5O2/c8-6-3-12(10-9-6)4-7(14)11-1-5(13)2-11/h3,5,13H,1-2,4,8H2
InChIKeyAIQJNNYCDNJIMU-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.94
Rot. Bonds2

About 2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone

2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 112531389) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID112531389
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESNc1cn(CC(=O)N2CC(O)C2)nn1
InChIInChI=1S/C7H11N5O2/c8-6-3-12(10-9-6)4-7(14)11-1-5(13)2-11/h3,5,13H,1-2,4,8H2
InChIKeyAIQJNNYCDNJIMU-UHFFFAOYSA-N
XLogP-1.94
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone (CID 112531389) is 2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone is Nc1cn(CC(=O)N2CC(O)C2)nn1.
What is the InChIKey of 2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is AIQJNNYCDNJIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-6-3-12(10-9-6)4-7(14)11-1-5(13)2-11/h3,5,13H,1-2,4,8H2.
What are the key properties of 2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 197.20 g/mol, XLogP of -1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 112531389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).