Home Other Building Blocks 4-cyclopropyl-5-(piperidin-3-yl)-4H-1,2,4-triazole-3-thiol hydrochloride

4-cyclopropyl-5-(piperidin-3-yl)-4H-1,2,4-triazole-3-thiol hydrochloride

CAS No.:
1269152-04-6
Catalog Number:
AG01AGQ7
Molecular Formula:
C10H17ClN4S
Molecular Weight:
260.7868
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Product Description
Catalog Number:
AG01AGQ7
Chemical Name:
4-cyclopropyl-5-(piperidin-3-yl)-4H-1,2,4-triazole-3-thiol hydrochloride
CAS Number:
1269152-04-6
Molecular Formula:
C10H17ClN4S
Molecular Weight:
260.7868
MDL Number:
MFCD18380621
IUPAC Name:
4-cyclopropyl-3-piperidin-3-yl-1H-1,2,4-triazole-5-thione;hydrochloride
InChI:
InChI=1S/C10H16N4S.ClH/c15-10-13-12-9(14(10)8-3-4-8)7-2-1-5-11-6-7;/h7-8,11H,1-6H2,(H,13,15);1H
InChI Key:
LTBOXWBBMADVIG-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1C1CC1)C1CCCNC1.Cl
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.086g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
260.784g/mol
Monoisotopic Mass:
260.086g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties