200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89311-26-2
89311-26-2 | 1,2,4-Triazin-6(1H)-one, 2,5-dihydro-5-methyl-, (S)-
CAS No: 89311-26-2 Catalog No: AG003YMM MDL No:
Product Description
Catalog Number:
AG003YMM
Chemical Name:
1,2,4-Triazin-6(1H)-one, 2,5-dihydro-5-methyl-, (S)-
CAS Number:
89311-26-2
Molecular Formula:
C4H7N3O
Molecular Weight:
113.1179
IUPAC Name:
5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one
InChI:
InChI=1S/C4H7N3O/c1-3-4(8)7-6-2-5-3/h2-3H,1H3,(H,5,6)(H,7,8)
InChI Key:
RCODHUVIIXVELQ-UHFFFAOYSA-N
SMILES:
C[C@@H]1N=CNNC1=O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.059g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
113.12g/mol
Monoisotopic Mass:
113.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.