N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide

C8H14N4O2 — CID 104981673

IUPACN-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
SMILESCC[C@@H](CO)NC(=O)Cn1ccnn1
InChIInChI=1S/C8H14N4O2/c1-2-7(6-13)10-8(14)5-12-4-3-9-11-12/h3-4,7,13H,2,5-6H2,1H3,(H,10,14)/t7-/m0/s1
InChIKeyWCAYBSZAOKRHIR-ZETCQYMHSA-N
MW198.23 g/mol
LogP-0.83
Rot. Bonds5

About N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide

N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide (PubChem CID 104981673) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
PubChem CID104981673
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
SMILESCC[C@@H](CO)NC(=O)Cn1ccnn1
InChIInChI=1S/C8H14N4O2/c1-2-7(6-13)10-8(14)5-12-4-3-9-11-12/h3-4,7,13H,2,5-6H2,1H3,(H,10,14)/t7-/m0/s1
InChIKeyWCAYBSZAOKRHIR-ZETCQYMHSA-N
XLogP-0.83
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
CID 103920026
N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide
CID 103920188
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
(2R)-3-methyl-2-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81453562
2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 107211178
5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid
CID 82855163
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-(triazol-1-yl)acetamide
CID 126442236
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide
CID 124608281
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide
CID 97331218
3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 114226874
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475
N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide
CID 81484813

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide (CID 104981673) is N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide is CC[C@@H](CO)NC(=O)Cn1ccnn1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide?
The InChIKey is WCAYBSZAOKRHIR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-7(6-13)10-8(14)5-12-4-3-9-11-12/h3-4,7,13H,2,5-6H2,1H3,(H,10,14)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide?
N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide has a molecular weight of 198.23 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 104981673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).