N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide

C8H14N4O3 — CID 115283363

IUPACN-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
SMILESCOCC(O)CNC(=O)Cn1ccnn1
InChIInChI=1S/C8H14N4O3/c1-15-6-7(13)4-9-8(14)5-12-3-2-10-11-12/h2-3,7,13H,4-6H2,1H3,(H,9,14)
InChIKeyCNIYKZDCDFDRMC-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.60
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide

N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide (PubChem CID 115283363) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
PubChem CID115283363
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
SMILESCOCC(O)CNC(=O)Cn1ccnn1
InChIInChI=1S/C8H14N4O3/c1-15-6-7(13)4-9-8(14)5-12-3-2-10-11-12/h2-3,7,13H,4-6H2,1H3,(H,9,14)
InChIKeyCNIYKZDCDFDRMC-UHFFFAOYSA-N
XLogP-1.60
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid
CID 106107864
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 114226874
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475
(2S)-2-hydroxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 107834964
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide
CID 113258739
N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide
CID 81484813
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide
CID 103825183
N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide
CID 109408533
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide (CID 115283363) is N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide is COCC(O)CNC(=O)Cn1ccnn1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide?
The InChIKey is CNIYKZDCDFDRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-15-6-7(13)4-9-8(14)5-12-3-2-10-11-12/h2-3,7,13H,4-6H2,1H3,(H,9,14).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide?
N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide has a molecular weight of 214.22 g/mol, XLogP of -1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 115283363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).