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89293-04-9 | 1H-1,2,4-Triazol-3-amine, 5-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-
CAS No: 89293-04-9 Catalog No: AG0040X4 MDL No:
Product Description
Catalog Number:
AG0040X4
Chemical Name:
1H-1,2,4-Triazol-3-amine, 5-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-
CAS Number:
89293-04-9
Molecular Formula:
C13H17ClN6
Molecular Weight:
292.7673
IUPAC Name:
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
InChI:
InChI=1S/C13H17ClN6/c14-11-3-1-2-10(8-11)9-19-4-6-20(7-5-19)13-16-12(15)17-18-13/h1-3,8H,4-7,9H2,(H3,15,16,17,18)
InChI Key:
PJUHINLYVCINHT-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)CN1CCN(CC1)c1[nH]nc(n1)N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.771g/mol
Monoisotopic Mass:
292.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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