Home Other Building Blocks 3-Benzyl-4,5-dihydro-1h-1,2,4-triazol-5-one

3-Benzyl-4,5-dihydro-1h-1,2,4-triazol-5-one

CAS No.:
1078-59-7
Catalog Number:
AG003AJ5
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$82
- +
250mg
95%
In Stock USA
United States
$152
- +
1g
95%
In Stock USA
United States
$410
- +
Product Description
Catalog Number:
AG003AJ5
Chemical Name:
3-Benzyl-4,5-dihydro-1h-1,2,4-triazol-5-one
CAS Number:
1078-59-7
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD01086907
IUPAC Name:
3-benzyl-1,4-dihydro-1,2,4-triazol-5-one
InChI:
InChI=1S/C9H9N3O/c13-9-10-8(11-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13)
InChI Key:
BWVIJZMNBPNLNG-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc([nH]1)Cc1ccccc1
NSC Number:
678390
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties