Home Other Building Blocks 5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole dihydrochloride

5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole dihydrochloride

CAS No.:
1909294-13-8
Catalog Number:
AG01C47E
Molecular Formula:
C8H16Cl2N4O
Molecular Weight:
255.1448
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Product Description
Catalog Number:
AG01C47E
Chemical Name:
5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole dihydrochloride
CAS Number:
1909294-13-8
Molecular Formula:
C8H16Cl2N4O
Molecular Weight:
255.1448
MDL Number:
MFCD29763043
IUPAC Name:
3-[(2S,4R)-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole;dihydrochloride
InChI:
InChI=1S/C8H14N4O.2ClH/c1-5-10-8(12-11-5)7-3-6(13-2)4-9-7;;/h6-7,9H,3-4H2,1-2H3,(H,10,11,12);2*1H/t6-,7+;;/m1../s1
InChI Key:
IRJIHHIIELNCIT-VJBFUYBPSA-N
SMILES:
CO[C@H]1CN[C@@H](C1)c1[nH]nc(n1)C.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:
4  
Isotope Atom Count:
0
Molecular Weight:
255.143g/mol
Monoisotopic Mass:
254.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties