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1008-30-6,MFCD00266689
Catalog No.:AA0002TT
1008-30-6 | 4-Phenyl-2,4-dihydro-3h-1,2,4-triazol-3-one
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$263.00   $184.00
- +
500mg
95.0%
3 weeks  
$271.00   $190.00
- +
1g
95.0%
3 weeks  
$279.00   $195.00
- +
5g
3 weeks  
$751.00   $526.00
- +
10g
3 weeks  
$1,301.00   $911.00
- +
25g
3 weeks  
$2,576.00   $1,803.00
- +
50g
3 weeks  
$4,704.00   $3,293.00
- +
100g
3 weeks  
$8,657.00   $6,060.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0002TT
Chemical Name:
4-Phenyl-2,4-dihydro-3h-1,2,4-triazol-3-one
CAS Number:
1008-30-6
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD00266689
IUPAC Name:
4-phenyl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C8H7N3O/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChI Key:
UYVVGXZLFHZTKT-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncn1c1ccccc1
NSC Number:
93434
Properties
Computed Properties
 
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
1008-30-6 
4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one 
AC1Q6L4C 
NCIOpen2_001519 
MLS000736464 
AC1L659M 
SCHEMBL3518937 
CHEMBL1872813 
CTK3J9283 
KS-00001XPC 
DTXSID50294013 
UYVVGXZLFHZTKT-UHFFFAOYSA-N 
4-phenyl-1H-1,2,4-triazol-5-one 
HMS2652F13 
4-phenyl-1,2,4-triazolin-5-one 
7278AC 
MFCD00266689 
NSC-93434 
SBB087520 
ZINC13597191 
4-phenyl-2H-1,2,4-triazol-3-one 
AKOS005070571 
AKOS017269436 
2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one 
MCULE-1412017495 
NE23906 
RP10228 
AJ-64231 
SMR000338414 
TR-033277 
FT-0680457 
4-phenyl-2,4-dihydro[1,2,4]triazol-3-one 
5N-071 
4-Phenyl-2,3-dihydro-4H-1,2,4-triazole-3-one 
4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one 
A800304 
J-515931 
I14-27315 
C8H7N3O 
AR-1G4381 
CID261419 
1009-62-7 
4-Phenyl-1H-1,2,4-triazol-5(4H)-one 
3H-1,2,4-Triazol-3-one,2,4-dihydro-4-phenyl- 
NSC93434 
phenyldihydrotriazolone 
AC1Q6H0K 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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