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Home > Pyridines > 854137-75-0
854137-75-0 | 4-cyclopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 854137-75-0 Catalog No: AG019M1E MDL No:MFCD07311003
Product Description
Catalog Number:
AG019M1E
Chemical Name:
4-cyclopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
854137-75-0
Molecular Formula:
C10H10N4S
Molecular Weight:
218.2782
MDL Number:
MFCD07311003
IUPAC Name:
4-cyclopropyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H10N4S/c15-10-13-12-9(14(10)8-1-2-8)7-3-5-11-6-4-7/h3-6,8H,1-2H2,(H,13,15)
InChI Key:
XDRDJURZUPOSBP-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1C1CC1)c1ccncc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.278g/mol
Monoisotopic Mass:
218.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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