Home Other Building Blocks 5-Isopropyl-1h-1,2,4-triazol-3-amine nitrate

5-Isopropyl-1h-1,2,4-triazol-3-amine nitrate

CAS No.:
22882-41-3
Catalog Number:
AG002LCN
Molecular Formula:
C5H10N4
Molecular Weight:
126.1597
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$238
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Product Description
Catalog Number:
AG002LCN
Chemical Name:
5-Isopropyl-1h-1,2,4-triazol-3-amine nitrate
CAS Number:
22882-41-3
Molecular Formula:
C5H10N4
Molecular Weight:
126.1597
MDL Number:
MFCD05182316
IUPAC Name:
5-propan-2-yl-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C5H10N4/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H3,6,7,8,9)
InChI Key:
MDLFQCVYROBFIW-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]c(n1)N)C
Properties
Complexity:
93  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.091g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
126.163g/mol
Monoisotopic Mass:
126.091g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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