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7343-34-2,MFCD00656686
Catalog No.:AA003ILL
7343-34-2 | 3,5-Dimethyl-1H-1,2,4-triazole
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1g
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5g
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25g
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100g
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500g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ILL
Chemical Name:
3,5-Dimethyl-1H-1,2,4-triazole
CAS Number:
7343-34-2
Molecular Formula:
C4H7N3
Molecular Weight:
97.1185
MDL Number:
MFCD00656686
IUPAC Name:
3,5-dimethyl-1H-1,2,4-triazole
InChI:
InChI=1S/C4H7N3/c1-3-5-4(2)7-6-3/h1-2H3,(H,5,6,7)
InChI Key:
XYYXDARQOHWBPO-UHFFFAOYSA-N
SMILES:
Cc1nnc([nH]1)C
Properties
Computed Properties
 
Complexity:
64  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.064g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
97.121g/mol
Monoisotopic Mass:
97.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
7343-34-2 
3,5-dimethyl-4H-1,2,4-triazole 
ALBB-013539 
BCP11310 
ZINC1435792 
ANW-72625 
MFCD00825709 
STK754403 
AKOS000263873 
AKOS001106176 
MCULE-6761346776 
PB23188 
3,5-dimethyl-1H-1,2,4-triazole 
RP08251 
TRA0075216 
WT81972 
KS-0000039W 
3,5-dimethyl-1-H-[1,2,4]-triazole 
AJ-25935 
AK-32124 
CJ-04992 
AB0053461 
AB1011692 
3,5-Dimethyl-1,2,4-triazole 
CK-05-001 
DB-024465 
ST1261394 
TC-071394 
TC-161370 
A9475 
D4481 
FT-0656537 
R3596 
ST50793843 
1H-1,2,4-Triazole, 3,5-dimethyl- 
EN300-14315 
7343-34-2 3,5-dimethyl-1,2,4-triazole 
C-8092 
343D342 
I14-8164 
J-511341 
F1062-0019 
A1209/0055692 
InChI=1/C4H7N3/c1-3-5-4(2)7-6-3/h1-2H3,(H,5,6,7 
null 
XYYXDARQOHWBPO-UHFFFAOYSA-N 
CID139001 
ZINC01435792 
ACN-039161 
AC1Q2OWE 
AC1L3E1Q 
CTK2H8903 
DTXSID10223662 
Literature

Title: Novel iso-reticular Zn(II) metal-organic frameworks constructed by trinuclear-triangular and paddle-wheel units: synthesis, structure and gas adsorption.

Journal: Dalton transactions (Cambridge, England : 2003) 20120414

Title: Supramolecular isomerism within three-dimensional 3-connected nets: unusual synthesis and characterization of trimorphic copper(I) 3,5-dimethyl-1,2,4-triazolate.

Journal: Dalton transactions (Cambridge, England : 2003) 20051121

Title: Novel triazole-bridged cadmium coordination polymers varying from zero- to three-dimensionality.

Journal: Inorganic chemistry 20040112

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