200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 672342-05-1
672342-05-1 | 4-cyclopentyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol
CAS No: 672342-05-1 Catalog No: AG016JZK MDL No:MFCD03612902
Product Description
Catalog Number:
AG016JZK
Chemical Name:
4-cyclopentyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol
CAS Number:
672342-05-1
Molecular Formula:
C12H14N4S
Molecular Weight:
246.3314
MDL Number:
MFCD03612902
IUPAC Name:
4-cyclopentyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H14N4S/c17-12-15-14-11(9-5-7-13-8-6-9)16(12)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,15,17)
InChI Key:
WKYMKHAAKPHMAD-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1C1CCCC1)c1ccncc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.332g/mol
Monoisotopic Mass:
246.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.