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

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

CAS No.:
1864003-30-4
Catalog Number:
AG01AUG1
Molecular Formula:
C7H13ClN4O
Molecular Weight:
204.6573
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Product Description
Catalog Number:
AG01AUG1
Chemical Name:
3-[(2S,4R)-4-methoxypyrrolidin-2-yl]-4H-1,2,4-triazole hydrochloride
CAS Number:
1864003-30-4
Molecular Formula:
C7H13ClN4O
Molecular Weight:
204.6573
MDL Number:
MFCD29034876
IUPAC Name:
5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C7H12N4O.ClH/c1-12-5-2-6(8-3-5)7-9-4-10-11-7;/h4-6,8H,2-3H2,1H3,(H,9,10,11);1H/t5-,6+;/m1./s1
InChI Key:
QDQDBJHFAVCMDA-IBTYICNHSA-N
SMILES:
CO[C@@H]1C[C@H](NC1)c1nnc[nH]1.Cl
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
204.078g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
204.658g/mol
Monoisotopic Mass:
204.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties