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Home > Other Heterocycles > 423165-07-5
423165-07-5 | (1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
CAS No: 423165-07-5 Catalog No: AG00I878 MDL No:MFCD12912695
Product Description
Catalog Number:
AG00I878
Chemical Name:
(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
CAS Number:
423165-07-5
Molecular Formula:
C13H22N4
Molecular Weight:
234.3406
MDL Number:
MFCD12912695
IUPAC Name:
(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
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?
InChI Key:
CEIRCCADSFHOQD-FOSCPWQOSA-N
SMILES:
Cc1nnc(n1[C@@H]1C[C@H]2CC[C@@H](C1)N2)C(C)C
EC Number:
929-241-8
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
234.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.347g/mol
Monoisotopic Mass:
234.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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