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Home Other Building Blocks 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-1,2,4-triazole hydrochloride

3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-1,2,4-triazole hydrochloride

CAS No.:
1311315-31-7
Catalog Number:
AG01AHJI
Molecular Formula:
C7H10ClN3
Molecular Weight:
171.6274
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Product Description
Catalog Number:
AG01AHJI
Chemical Name:
3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-1,2,4-triazole hydrochloride
CAS Number:
1311315-31-7
Molecular Formula:
C7H10ClN3
Molecular Weight:
171.6274
MDL Number:
MFCD18785495
IUPAC Name:
3,5-dimethyl-1-prop-2-ynyl-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C7H9N3.ClH/c1-4-5-10-7(3)8-6(2)9-10;/h1H,5H2,2-3H3;1H
InChI Key:
IIWPYLPPVDMWNW-UHFFFAOYSA-N
SMILES:
Cc1nc(nn1CC#C)C.Cl
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.628g/mol
Monoisotopic Mass:
171.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties