A1IO3

N-phenethyl-2-(1H-tetrazol-5-yl)acetamide

Created:2024-09-20
Last modified:  2025-07-02

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count11
2D diagram of A1IO3

Chemical Component Summary

NameN-phenethyl-2-(1H-tetrazol-5-yl)acetamide
Synonyms~{N}-(2-phenylethyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
Systematic Name (OpenEye OEToolkits)~{N}-(2-phenylethyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
FormulaC11 H13 N5 O
Molecular Weight231.254
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C(Cc1[nH]nnn1)NCCc2ccccc2
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CCNC(=O)Cc2[nH]nnn2
Canonical SMILESCACTVS3.385 O=C(Cc1[nH]nnn1)NCCc2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)CCNC(=O)Cc2[nH]nnn2
InChIInChI1.06 InChI=1S/C11H13N5O/c17-11(8-10-13-15-16-14-10)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,17)(H,13,14,15,16)
InChIKeyInChI1.06 IGPVTXOEQKVWEI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 16434657