200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 851879-25-9
851879-25-9 | 1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one
CAS No: 851879-25-9 Catalog No: AG019O01 MDL No:MFCD06655292
Product Description
Catalog Number:
AG019O01
Chemical Name:
1-{[4-(pyridin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-2-one
CAS Number:
851879-25-9
Molecular Formula:
C12H13N5OS
Molecular Weight:
275.3295
MDL Number:
MFCD06655292
IUPAC Name:
1-[(4-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one
InChI:
InChI=1S/C12H13N5OS/c18-11-5-3-7-16(11)8-10-14-15-12(19)17(10)9-4-1-2-6-13-9/h1-2,4,6H,3,5,7-8H2,(H,15,19)
InChI Key:
DUBSWAMSQURHQL-UHFFFAOYSA-N
SMILES:
O=C1CCCN1Cc1nnc(n1c1ccccn1)S
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.33g/mol
Monoisotopic Mass:
275.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.