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Home Other Building Blocks 5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine

5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine

CAS No.:
289710-95-8
Catalog Number:
AG019OMG
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
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Product Description
Catalog Number:
AG019OMG
Chemical Name:
5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-amine
CAS Number:
289710-95-8
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
MDL Number:
MFCD05182334
IUPAC Name:
5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C10H12N4O2/c1-15-7-4-3-6(5-8(7)16-2)9-12-10(11)14-13-9/h3-5H,1-2H3,(H3,11,12,13,14)
InChI Key:
AHCGZNXGBCOYSI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1nnc([nH]1)N
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.232g/mol
Monoisotopic Mass:
220.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties