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

C10H17N5O3 — CID 75537386

IUPACtert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn(CC(N)=O)nn1
InChIInChI=1S/C10H17N5O3/c1-10(2,3)18-9(17)12-4-7-5-15(14-13-7)6-8(11)16/h5H,4,6H2,1-3H3,(H2,11,16)(H,12,17)
InChIKeyXONJSLGYPNKWAY-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.21
Rot. Bonds4

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

tert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate (PubChem CID 75537386) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate
PubChem CID75537386
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Nametert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn(CC(N)=O)nn1
InChIInChI=1S/C10H17N5O3/c1-10(2,3)18-9(17)12-4-7-5-15(14-13-7)6-8(11)16/h5H,4,6H2,1-3H3,(H2,11,16)(H,12,17)
InChIKeyXONJSLGYPNKWAY-UHFFFAOYSA-N
XLogP-0.21
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate (CID 75537386) is tert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cn(CC(N)=O)nn1.
What is the InChIKey of tert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate?
The InChIKey is XONJSLGYPNKWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-10(2,3)18-9(17)12-4-7-5-15(14-13-7)6-8(11)16/h5H,4,6H2,1-3H3,(H2,11,16)(H,12,17).
What are the key properties of tert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate?
tert-butyl N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate has a molecular weight of 255.28 g/mol, XLogP of -0.21, 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-amino-2-oxoethyl)triazol-4-yl]methyl]carbamate is sourced from PubChem (CID 75537386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).