ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate

C7H11N5O3 — CID 112520587

IUPACethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(N)=O)n1
InChIInChI=1S/C7H11N5O3/c1-2-15-7(14)10-6-3-9-12(11-6)4-5(8)13/h3H,2,4H2,1H3,(H2,8,13)(H,10,11,14)
InChIKeyAVPJVNJERLUJJH-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.67
Rot. Bonds4

About ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate

ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate (PubChem CID 112520587) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
PubChem CID112520587
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Nameethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(N)=O)n1
InChIInChI=1S/C7H11N5O3/c1-2-15-7(14)10-6-3-9-12(11-6)4-5(8)13/h3H,2,4H2,1H3,(H2,8,13)(H,10,11,14)
InChIKeyAVPJVNJERLUJJH-UHFFFAOYSA-N
XLogP-0.67
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate
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ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521547
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate
CID 112531700
ethyl N-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112522203
ethyl N-[2-[2-(4-aminobenzimidazol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523150
ethyl N-[2-[2-[[4-(aminomethyl)phenyl]sulfonylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112521966
ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate
CID 112530157
ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520362
ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112532265
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate (CID 112520587) is ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate is CCOC(=O)Nc1cnn(CC(N)=O)n1.
What is the InChIKey of ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate?
The InChIKey is AVPJVNJERLUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-2-15-7(14)10-6-3-9-12(11-6)4-5(8)13/h3H,2,4H2,1H3,(H2,8,13)(H,10,11,14).
What are the key properties of ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate?
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate has a molecular weight of 213.20 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate is sourced from PubChem (CID 112520587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).