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Home > Pyridines > 721893-55-6
721893-55-6 | 4-(2-methylcyclohexyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 721893-55-6 Catalog No: AG019HRJ MDL No:MFCD03953983
Product Description
Catalog Number:
AG019HRJ
Chemical Name:
4-(2-methylcyclohexyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
721893-55-6
Molecular Formula:
C14H18N4S
Molecular Weight:
274.3845
MDL Number:
MFCD03953983
IUPAC Name:
4-(2-methylcyclohexyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H18N4S/c1-10-5-2-3-7-12(10)18-13(16-17-14(18)19)11-6-4-8-15-9-11/h4,6,8-10,12H,2-3,5,7H2,1H3,(H,17,19)
InChI Key:
PUJQPRBCIATNGV-UHFFFAOYSA-N
SMILES:
CC1CCCCC1n1c(S)nnc1c1cccnc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.386g/mol
Monoisotopic Mass:
274.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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