Home Other Building Blocks 5-Ethyl-4H-[1,2,4]triazol-3-ylamine

5-Ethyl-4H-[1,2,4]triazol-3-ylamine

CAS No.:
22819-05-2
Catalog Number:
AG00366N
Molecular Formula:
C4H8N4
Molecular Weight:
112.1331
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG00366N
Chemical Name:
5-Ethyl-4H-[1,2,4]triazol-3-ylamine
CAS Number:
22819-05-2
Molecular Formula:
C4H8N4
Molecular Weight:
112.1331
MDL Number:
MFCD02907685
IUPAC Name:
5-ethyl-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C4H8N4/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H3,5,6,7,8)
InChI Key:
ZVWFWIXWMIMWEU-UHFFFAOYSA-N
SMILES:
CCc1nc(n[nH]1)N
Properties
Complexity:
74.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.075g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
112.136g/mol
Monoisotopic Mass:
112.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. Journal of medicinal chemistry 20090723
Properties