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Structure

4-Amino-3,5-Di-2-Pyridyl-4H-1,2,4-Triazole

CAS
1671-88-1
Catalog Number
ACM1671881
Category
Other Products
Molecular Weight
238.25
Molecular Formula
C12H10N6

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Specification

IUPAC Name
3,5-dipyridin-2-yl-1,2,4-triazol-4-amine
InChI
InChI=1S/C12H10N6/c13-18-11(9-5-1-3-7-14-9)16-17-12(18)10-6-2-4-8-15-10/h1-8H,13H2
InChI Key
VHRKXLULSZZZQT-UHFFFAOYSA-N
Complexity
247
CompoundIs Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
238.09669434g/mol
Formal Charge
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
238.09669434g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
82.5Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.4
June 16, 2023


Intermediate of drug synthesis
The purity of anti-tuberculosis drugs prepared by 4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole is very high.

Upstream Synthesis Route 1

  • 100-70-9
  • 1671-88-1

Reference: [1]Tetrahedron Letters,2000,vol. 41,p. 1539 - 1541

Downstream Synthesis Route 1

  • 1671-88-1
  • 1671-85-8

Reference: [1]Inorganic Chemistry,2017,vol. 56,p. 15259 - 15270
[2]Journal of Heterocyclic Chemistry,2002,vol. 39,p. 93 - 96
[3]Chemical Communications,2012,vol. 48,p. 6229 - 6231

Downstream Synthesis Route 2

  • 696-59-3
  • 1671-88-1
  • 151194-66-0

Reference: [1]Journal of Organometallic Chemistry,2021,vol. 954-955
[2]European Journal of Inorganic Chemistry,2009,p. 1172 - 1180
[3]European Journal of Inorganic Chemistry,2006,p. 573 - 589

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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