200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 155431-59-7
155431-59-7 | 4-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS No: 155431-59-7 Catalog No: AG01BG72 MDL No:MFCD28125050
Product Description
Catalog Number:
AG01BG72
Chemical Name:
4-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
155431-59-7
Molecular Formula:
C7H6N4O
Molecular Weight:
162.1487
MDL Number:
MFCD28125050
IUPAC Name:
4-pyridin-4-yl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C7H6N4O/c12-7-10-9-5-11(7)6-1-3-8-4-2-6/h1-5H,(H,10,12)
InChI Key:
YFLZLYNJMLQUIM-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncn1c1ccncc1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.152g/mol
Monoisotopic Mass:
162.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.