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

C10H19N5O2 — CID 155819961

IUPACtert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn(CCN)nn1
InChIInChI=1S/C10H19N5O2/c1-10(2,3)17-9(16)12-6-8-7-15(5-4-11)14-13-8/h7H,4-6,11H2,1-3H3,(H,12,16)
InChIKeyOIDJVBRLDGBKTB-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.26
Rot. Bonds4

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

tert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate (PubChem CID 155819961) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate
PubChem CID155819961
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Nametert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn(CCN)nn1
InChIInChI=1S/C10H19N5O2/c1-10(2,3)17-9(16)12-6-8-7-15(5-4-11)14-13-8/h7H,4-6,11H2,1-3H3,(H,12,16)
InChIKeyOIDJVBRLDGBKTB-UHFFFAOYSA-N
XLogP0.26
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.26
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-aminoethyl)triazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate (CID 155819961) is tert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cn(CCN)nn1.
What is the InChIKey of tert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate?
The InChIKey is OIDJVBRLDGBKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-10(2,3)17-9(16)12-6-8-7-15(5-4-11)14-13-8/h7H,4-6,11H2,1-3H3,(H,12,16).
What are the key properties of tert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate?
tert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 0.26, 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-aminoethyl)triazol-4-yl]methyl]carbamate is sourced from PubChem (CID 155819961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).