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Home Other Building Blocks 1-phenyl-1H-1,2,3-triazol-4-amine

1-phenyl-1H-1,2,3-triazol-4-amine

CAS No.:
2076-64-4
Catalog Number:
AG01A411
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
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Product Description
Catalog Number:
AG01A411
Chemical Name:
1-phenyl-1H-1,2,3-triazol-4-amine
CAS Number:
2076-64-4
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
MDL Number:
MFCD20691554
IUPAC Name:
1-phenyltriazol-4-amine
InChI:
InChI=1S/C8H8N4/c9-8-6-12(11-10-8)7-4-2-1-3-5-7/h1-6H,9H2
InChI Key:
FOIKZZCOPIBALR-UHFFFAOYSA-N
SMILES:
Nc1nnn(c1)c1ccccc1
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.18g/mol
Monoisotopic Mass:
160.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C). Bioorganic & medicinal chemistry letters 20120915
Properties