chempirical

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

C20H28N4CAS 423165-13-3324.47 g/mol

Open in Covalent MOL file
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Tertiary amine

Properties

Molecular formula
C20H28N4
Molar mass
324.47 g/mol
Exact mass
324.2314 Da
Melting point
148.9 °C
logP
4.08Crippen estimate
Polar surface area
34.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4
Stereocentres
s, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
423165-13-3
SMILES
Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1
InChIKey
YHGHRIAZABSSGB-REPLKXPHNA-N
InChI
InChI=1/C20H28N4/c1-14(2)20-22-21-15(3)24(20)19-11-17-9-10-18(12-19)23(17)13-16-7-5-4-6-8-16/h4-8,14,17-19H,9-13H2,1-3H3/t17-,18+,19-

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Names and synonyms

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

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

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Similar compounds

(1R,3S,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane423165-07-557 % similar Maraviroc376348-65-151 % similar 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one28957-72-437 % similar 1-Benzyl-2-methylimidazole13750-62-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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