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Details

Stereochemistry ACHIRAL
Molecular Formula C13H22N4
Molecular Weight 234.3406
Optical Activity NONE
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3-endo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane

SMILES

CC(C)C1=NN=C(C)N1[C@H]2C[C@@H]3CC[C@H](C2)N3

InChI

InChIKey=CEIRCCADSFHOQD-ZSBIGDGJSA-N
InChI=1S/C13H22N4/c1-8(2)13-16-15-9(3)17(13)12-6-10-4-5-11(7-12)14-10/h8,10-12,14H,4-7H2,1-3H3/t10-,11+,12-

HIDE SMILES / InChI

Molecular Formula C13H22N4
Molecular Weight 234.3406
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:22:37 GMT 2023
Edited
by admin
on Sat Dec 16 19:22:37 GMT 2023
Record UNII
BY6PC963PN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3-endo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane
Systematic Name English
8-Azabicyclo[3.2.1]octane, 3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-, (3-endo)-
Systematic Name English
Code System Code Type Description
CAS
1263004-47-2
Created by admin on Sat Dec 16 19:22:37 GMT 2023 , Edited by admin on Sat Dec 16 19:22:37 GMT 2023
PRIMARY
FDA UNII
BY6PC963PN
Created by admin on Sat Dec 16 19:22:37 GMT 2023 , Edited by admin on Sat Dec 16 19:22:37 GMT 2023
PRIMARY
Related Record Type Details
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