Home Other Building Blocks (3R,5S)-5-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-ol dihydrochloride

(3R,5S)-5-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-ol dihydrochloride

CAS No.:
2137143-76-9
Catalog Number:
AG01EMK1
Molecular Formula:
C8H16Cl2N4O
Molecular Weight:
255.1448
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Product Description
Catalog Number:
AG01EMK1
Chemical Name:
(3R,5S)-5-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-ol dihydrochloride
CAS Number:
2137143-76-9
Molecular Formula:
C8H16Cl2N4O
Molecular Weight:
255.1448
MDL Number:
MFCD31559029
IUPAC Name:
(3R,5S)-5-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-ol;dihydrochloride
InChI:
InChI=1S/C8H14N4O.2ClH/c1-2-7-10-8(12-11-7)6-3-5(13)4-9-6;;/h5-6,9,13H,2-4H2,1H3,(H,10,11,12);2*1H/t5-,6+;;/m1../s1
InChI Key:
JICHOEOCBNUGGY-PVNUIUKASA-N
SMILES:
CCc1[nH]nc(n1)[C@H]1NC[C@@H](C1)O.Cl.Cl
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
254.07g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
255.143g/mol
Monoisotopic Mass:
254.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties