A1AJ5

(1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine

Created:2024-04-03
Last modified:  2024-05-08

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count1
Bond Count27
Aromatic Bond Count11
2D diagram of A1AJ5

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Chemical Component Summary

Name(1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
Systematic Name (OpenEye OEToolkits)(1~{S})-1-(1-phenyl-1,2,3-triazol-4-yl)ethanamine
FormulaC10 H12 N4
Molecular Weight188.229
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(N)c1cn(nn1)c1ccccc1
SMILESCACTVS3.385C[CH](N)c1cn(nn1)c2ccccc2
SMILESOpenEye OEToolkits2.0.7CC(c1cn(nn1)c2ccccc2)N
Canonical SMILESCACTVS3.385 C[C@H](N)c1cn(nn1)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H](c1cn(nn1)c2ccccc2)N
InChIInChI1.06 InChI=1S/C10H12N4/c1-8(11)10-7-14(13-12-10)9-5-3-2-4-6-9/h2-8H,11H2,1H3/t8-/m0/s1
InChIKeyInChI1.06 WHLMWNCAOOBOTJ-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 96053367