ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate

C13H14N4O2 — CID 749138

IUPACethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate
SMILESCCOC(=O)Cn1c2ccccc2n2nc(C)nc12
InChIInChI=1S/C13H14N4O2/c1-3-19-12(18)8-16-10-6-4-5-7-11(10)17-13(16)14-9(2)15-17/h4-7H,3,8H2,1-2H3
InChIKeyDTSQVBYIYPUDCP-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.56
Rot. Bonds3

About ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate

ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate (PubChem CID 749138) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate
PubChem CID749138
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Nameethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate
SMILESCCOC(=O)Cn1c2ccccc2n2nc(C)nc12
InChIInChI=1S/C13H14N4O2/c1-3-19-12(18)8-16-10-6-4-5-7-11(10)17-13(16)14-9(2)15-17/h4-7H,3,8H2,1-2H3
InChIKeyDTSQVBYIYPUDCP-UHFFFAOYSA-N
XLogP1.56
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate (CID 749138) is ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate is CCOC(=O)Cn1c2ccccc2n2nc(C)nc12.
What is the InChIKey of ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate?
The InChIKey is DTSQVBYIYPUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-19-12(18)8-16-10-6-4-5-7-11(10)17-13(16)14-9(2)15-17/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate?
ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate has a molecular weight of 258.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetate is sourced from PubChem (CID 749138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).