3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea

C10H16N6O3 — CID 112531410

IUPAC3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1
InChIInChI=1S/C10H16N6O3/c1-14(2)10(19)12-8-3-11-16(13-8)6-9(18)15-4-7(17)5-15/h3,7,17H,4-6H2,1-2H3,(H,12,13,19)
InChIKeyBRZBHEHUAWNOTB-UHFFFAOYSA-N
MW268.28 g/mol
LogP-1.43
Rot. Bonds3

About 3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea

3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea (PubChem CID 112531410) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
PubChem CID112531410
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1
InChIInChI=1S/C10H16N6O3/c1-14(2)10(19)12-8-3-11-16(13-8)6-9(18)15-4-7(17)5-15/h3,7,17H,4-6H2,1-2H3,(H,12,13,19)
InChIKeyBRZBHEHUAWNOTB-UHFFFAOYSA-N
XLogP-1.43
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea (CID 112531410) is 3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea is CN(C)C(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1.
What is the InChIKey of 3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea?
The InChIKey is BRZBHEHUAWNOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-14(2)10(19)12-8-3-11-16(13-8)6-9(18)15-4-7(17)5-15/h3,7,17H,4-6H2,1-2H3,(H,12,13,19).
What are the key properties of 3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea?
3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea has a molecular weight of 268.28 g/mol, XLogP of -1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea is sourced from PubChem (CID 112531410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).