N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide

C11H17N5O3 — CID 112531418

IUPACN-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)N2CC(O)C2)nn1
InChIInChI=1S/C11H17N5O3/c1-7(2)11(19)12-9-5-16(14-13-9)6-10(18)15-3-8(17)4-15/h5,7-8,17H,3-4,6H2,1-2H3,(H,12,19)
InChIKeyHZDIZTFQIFAQRF-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.92
Rot. Bonds4

About N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide

N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide (PubChem CID 112531418) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
PubChem CID112531418
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC NameN-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)N2CC(O)C2)nn1
InChIInChI=1S/C11H17N5O3/c1-7(2)11(19)12-9-5-16(14-13-9)6-10(18)15-3-8(17)4-15/h5,7-8,17H,3-4,6H2,1-2H3,(H,12,19)
InChIKeyHZDIZTFQIFAQRF-UHFFFAOYSA-N
XLogP-0.92
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112531417
N-[1-[2-(azepan-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112530504
2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530400
N-[1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531833
N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530725
N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112530727
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
N-[1-[2-[3-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112532028
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525344
N-[1-(2-oxo-2-piperidin-1-ylethyl)triazol-4-yl]propanamide
CID 112530434
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide (CID 112531418) is N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cn(CC(=O)N2CC(O)C2)nn1.
What is the InChIKey of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
The InChIKey is HZDIZTFQIFAQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7(2)11(19)12-9-5-16(14-13-9)6-10(18)15-3-8(17)4-15/h5,7-8,17H,3-4,6H2,1-2H3,(H,12,19).
What are the key properties of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide?
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide has a molecular weight of 267.29 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 112531418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).