methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate

C7H10N4O3 — CID 79807298

IUPACmethyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1ccnn1
InChIInChI=1S/C7H10N4O3/c1-14-7(13)4-8-6(12)5-11-3-2-9-10-11/h2-3H,4-5H2,1H3,(H,8,12)
InChIKeyZGELLTMRNGJLQO-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.43
Rot. Bonds4

About methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate

methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate (PubChem CID 79807298) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate
PubChem CID79807298
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Namemethyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1ccnn1
InChIInChI=1S/C7H10N4O3/c1-14-7(13)4-8-6(12)5-11-3-2-9-10-11/h2-3H,4-5H2,1H3,(H,8,12)
InChIKeyZGELLTMRNGJLQO-UHFFFAOYSA-N
XLogP-1.43
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(1H-1,2,3-triazol-1-YL)acetate
CID 10103365
Methyl 1H-1,2,3-triazol-1-ylacetate
CID 72218457
methyl N-[(2S)-1-oxo-1-[3-(triazol-1-yl)propylamino]propan-2-yl]carbamate
CID 124841608
N-ethyl-2-(triazol-1-yl)acetamide
CID 67522390
N-methyl-2-(triazol-1-yl)acetamide
CID 68298063
2-[2-(Triazol-1-yl)ethylamino]acetic acid
CID 89395947
5-(Triazol-1-yl)-1,3-oxazolidin-2-one
CID 142674296
N-methyl-2-[4-[2-(triazol-1-yl)ethoxy]butylamino]acetamide
CID 169964115
N-methyl-2-[2-[3-(triazol-1-yl)propoxy]ethylamino]acetamide
CID 169964121
N-methyl-2-[3-[2-(triazol-1-yl)ethoxy]propylamino]acetamide
CID 169964123
2-[3-(Triazol-1-yl)propanoylamino]acetic acid
CID 28789423
Methyl 3-methyl-2-[3-(triazol-1-yl)propanoylamino]butanoate
CID 43423188

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate (CID 79807298) is methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cn1ccnn1.
What is the InChIKey of methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate?
The InChIKey is ZGELLTMRNGJLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-14-7(13)4-8-6(12)5-11-3-2-9-10-11/h2-3H,4-5H2,1H3,(H,8,12).
What are the key properties of methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate?
methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate has a molecular weight of 198.18 g/mol, XLogP of -1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 79807298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).