(3-exo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H22N4
Molecular Weight	234.3406
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3-exo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane

Structure Search

SMILES

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

InChI

InChIKey=CEIRCCADSFHOQD-GDNZZTSVSA-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 `Wed Apr 02 12:40:18 GMT 2025` Edited by `admin` on `Wed Apr 02 12:40:18 GMT 2025`
Record UNII	W3U46P8KEY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3-exo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane

Systematic Name

English

UK-408027

Preferred Name

English

(1R,3r,5S)-rel-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

Systematic Name

English

UK408027

Code

English

MARAVIROC METABOLITE H2

Common Name

English

8-Azabicyclo[3.2.1]octane, 3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-, (3-exo)-

Systematic Name

English

Code System Code Type Description

FDA UNII

W3U46P8KEY

Created by admin on Wed Apr 02 12:40:18 GMT 2025 , Edited by admin on Wed Apr 02 12:40:18 GMT 2025

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CAS

423165-07-5

Created by admin on Wed Apr 02 12:40:18 GMT 2025 , Edited by admin on Wed Apr 02 12:40:18 GMT 2025

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EPA CompTox

DTXSID60463410

Created by admin on Wed Apr 02 12:40:18 GMT 2025 , Edited by admin on Wed Apr 02 12:40:18 GMT 2025

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