Home Other Building Blocks 1010-54-4
1010-54-4,MFCD03787260
Catalog No.:AA0003DN
1010-54-4 | 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-phenyl-
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1mg
3 weeks  
$214.00   $150.00
- +
5mg
3 weeks  
$231.00   $162.00
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500mg
3 weeks  
$245.00   $171.00
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1g
3 weeks  
$282.00   $198.00
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5g
3 weeks  
$539.00   $378.00
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10g
3 weeks  
$742.00   $520.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0003DN
Chemical Name:
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-phenyl-
CAS Number:
1010-54-4
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD03787260
IUPAC Name:
3-methyl-4-phenyl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C9H9N3O/c1-7-10-11-9(13)12(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)
InChI Key:
CCPJMTJIFZSNOH-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(=O)n1c1ccccc1
Properties
Computed Properties
 
Complexity:
243  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/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
 
1010-54-4 
3-Methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one 
DTXSID00397220 
KS-00001T5N 
ZINC4072976 
ZX-AT017440 
0325AA 
ANW-55832 
FCH921073 
MFCD03787260 
SBB089053 
AKOS005069665 
5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one 
MCULE-4871873414 
OR15227 
RP10663 
AJ-47881 
AX8104804 
TR-000312 
3-methyl-4-phenyl-1,2,4-triazolin-5-one 
FT-0680093 
5-methyl-4-phenyl-2H-1,2,4-triazol-3-one 
12T-0820 
3-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one 
J-512859 
I14-27752 
3H-1,2,4-Triazol-3-one,2,4-dihydro-5-methyl-4-phenyl- 
4,5-Dihydro-3-methyl-5-oxo-4-phenyl-1H-1,2,4-triazole 
5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-trizol-3-one 
(1,5-Dihydro-3-methyl-5-oxo-4H-1,2,4-triazol-4-yl)benzene 
C9H9N3O 
ZINC04072976 
CID3845230 
5-Methyl-4-phenyl-1,2,4-triazol-3(2H)-one 
AC1MZB2H 
3-methyl-4-phenyl-1H-1,2,4-triazol-5-one 
methylphenyldihydrotriazolone 
SCHEMBL3520528 
CTK3J9501 
Literature
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