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89293-06-1 | 1H-1,2,4-Triazol-3-amine, 5-[4-[(4-aminophenyl)methyl]-1-piperazinyl]-
CAS No: 89293-06-1 Catalog No: AG0040X3 MDL No:
Product Description
Catalog Number:
AG0040X3
Chemical Name:
1H-1,2,4-Triazol-3-amine, 5-[4-[(4-aminophenyl)methyl]-1-piperazinyl]-
CAS Number:
89293-06-1
Molecular Formula:
C13H19N7
Molecular Weight:
273.3369
IUPAC Name:
3-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
InChI:
InChI=1S/C13H19N7/c14-11-3-1-10(2-4-11)9-19-5-7-20(8-6-19)13-16-12(15)17-18-13/h1-4H,5-9,14H2,(H3,15,16,17,18)
InChI Key:
ATHDZKLFQHEOLJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CN1CCN(CC1)c1[nH]nc(n1)N
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.17g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
273.344g/mol
Monoisotopic Mass:
273.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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