Home Other Building Blocks 1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine hydrochloride

1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine hydrochloride

CAS No.:
1315366-39-2
Catalog Number:
AG01AJ6W
Molecular Formula:
C8H16ClN5
Molecular Weight:
217.6991
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Product Description
Catalog Number:
AG01AJ6W
Chemical Name:
1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine hydrochloride
CAS Number:
1315366-39-2
Molecular Formula:
C8H16ClN5
Molecular Weight:
217.6991
MDL Number:
MFCD19382108
IUPAC Name:
1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine;hydrochloride
InChI:
InChI=1S/C8H15N5.ClH/c1-7-10-8(12-11-7)6-13-4-2-9-3-5-13;/h9H,2-6H2,1H3,(H,10,11,12);1H
InChI Key:
QQRBVVKRKGIQNA-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(n1)CN1CCNCC1.Cl
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.109g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
217.701g/mol
Monoisotopic Mass:
217.109g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties