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

C13H22N4CAS 423165-07-5234.35 g/mol

Open in Covalent MOL file
NNNNH
Secondary amine

Properties

Molecular formula
C13H22N4
Molar mass
234.35 g/mol
Exact mass
234.1844 Da
logP
2.17Crippen estimate
Polar surface area
42.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
423165-07-5
SMILES
CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3)C(C)C
InChIKey
CEIRCCADSFHOQD-FOSCPWQOSA-N
InChI
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?

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3-Exo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane423165-13-357 % similar Maraviroc376348-65-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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