methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate

C8H12N4O3 — CID 103105730

IUPACmethyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate
SMILESCCc1c(C(=O)OC)nnn1CC(N)=O
InChIInChI=1S/C8H12N4O3/c1-3-5-7(8(14)15-2)10-11-12(5)4-6(9)13/h3-4H2,1-2H3,(H2,9,13)
InChIKeyFAPKTPSOSAGERL-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.89
Rot. Bonds4

About methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate

methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate (PubChem CID 103105730) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate
PubChem CID103105730
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Namemethyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate
SMILESCCc1c(C(=O)OC)nnn1CC(N)=O
InChIInChI=1S/C8H12N4O3/c1-3-5-7(8(14)15-2)10-11-12(5)4-6(9)13/h3-4H2,1-2H3,(H2,9,13)
InChIKeyFAPKTPSOSAGERL-UHFFFAOYSA-N
XLogP-0.89
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-amino-2-oxoethyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 102643595
methyl 5-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]triazole-4-carboxylate
CID 103105822
methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate
CID 103105718
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-ethyltriazole-4-carboxylate
CID 103105641
methyl 5-ethyl-1-(5-hydroxypentyl)triazole-4-carboxylate
CID 103105752
methyl 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-5-ethyltriazole-4-carboxylate
CID 103105951
methyl 1-[2-(diethylamino)ethyl]-5-ethyltriazole-4-carboxylate
CID 103105875
methyl 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazole-4-carboxylate
CID 103105737
methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105920
methyl 5-ethyl-1-(2-pyrazol-1-ylethyl)triazole-4-carboxylate
CID 103105661
methyl 5-ethyl-1-propan-2-yltriazole-4-carboxylate
CID 103105848
methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate
CID 103105645

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate?
The IUPAC name of methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate (CID 103105730) is methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate?
The canonical SMILES for methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate is CCc1c(C(=O)OC)nnn1CC(N)=O.
What is the InChIKey of methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate?
The InChIKey is FAPKTPSOSAGERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-3-5-7(8(14)15-2)10-11-12(5)4-6(9)13/h3-4H2,1-2H3,(H2,9,13).
What are the key properties of methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate?
methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate has a molecular weight of 212.21 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate is sourced from PubChem (CID 103105730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).