tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate

C10H18N4O3 — CID 51032355

IUPACtert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn(CCO)nn1
InChIInChI=1S/C10H18N4O3/c1-10(2,3)17-9(16)11-6-8-7-14(4-5-15)13-12-8/h7,15H,4-6H2,1-3H3,(H,11,16)
InChIKeyFQJWDRFTAXDERL-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.30
Rot. Bonds4

About tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate

tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate (PubChem CID 51032355) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate
PubChem CID51032355
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Nametert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn(CCO)nn1
InChIInChI=1S/C10H18N4O3/c1-10(2,3)17-9(16)11-6-8-7-14(4-5-15)13-12-8/h7,15H,4-6H2,1-3H3,(H,11,16)
InChIKeyFQJWDRFTAXDERL-UHFFFAOYSA-N
XLogP0.30
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-((((tert-butoxy)carbonyl)amino)methyl)-1H-1,2,3-triazol-1-yl)acetic acid
CID 115299802
[3-[4-[(dibutylamino)methyl]triazol-1-yl]-2-hydroxypropyl] N-butylcarbamate
CID 46863032
[2-hydroxy-3-[4-(morpholin-4-ylmethyl)triazol-1-yl]propyl] N-butylcarbamate
CID 46863147
[2-hydroxy-3-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]propyl] N-butylcarbamate
CID 46863152
tert-Butyl 3-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-1-carboxylate
CID 102548341
tert-butyl N-{[1-(piperidin-3-yl)-1H-1,2,3-triazol-4-yl]methyl}carbamate
CID 121552326
tert-butyl 3-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]azetidine-1-carboxylate hydrochloride
CID 132327165
tert-butyl N-((1-(2-aminoethyl)-1H-1,2,3-triazol-4-yl)methyl)carbamate
CID 155819961
tert-butyl 3-[4-[1-[[(2S)-1-hydroxypropan-2-yl]amino]ethyl]triazol-1-yl]azetidine-1-carboxylate
CID 136585312
tert-butyl N-methyl-N-[2-[[(1S)-1-[1-(oxetan-3-yl)triazol-4-yl]ethyl]amino]ethyl]carbamate
CID 164638533
t-Butyl {[1-(2-amino-2-oxoethyl)-1h-1,2,3-triazol-4-yl]methyl}carbamate
CID 75537386
Methyl 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate (CID 51032355) is tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cn(CCO)nn1.
What is the InChIKey of tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate?
The InChIKey is FQJWDRFTAXDERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(2,3)17-9(16)11-6-8-7-14(4-5-15)13-12-8/h7,15H,4-6H2,1-3H3,(H,11,16).
What are the key properties of tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate?
tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate has a molecular weight of 242.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]carbamate is sourced from PubChem (CID 51032355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).