Home Other Building Blocks 1-(pyrimidin-2-yl)-1H-1,2,4-triazol-5-amine

1-(pyrimidin-2-yl)-1H-1,2,4-triazol-5-amine

CAS No.:
1248761-34-3
Catalog Number:
AG01EI8Q
Molecular Formula:
C6H6N6
Molecular Weight:
162.1520
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Product Description
Catalog Number:
AG01EI8Q
Chemical Name:
1-(pyrimidin-2-yl)-1H-1,2,4-triazol-5-amine
CAS Number:
1248761-34-3
Molecular Formula:
C6H6N6
Molecular Weight:
162.1520
MDL Number:
MFCD16845201
IUPAC Name:
2-pyrimidin-2-yl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C6H6N6/c7-5-10-4-11-12(5)6-8-2-1-3-9-6/h1-4H,(H2,7,10,11)
InChI Key:
AYNOTZBOYPKSQF-UHFFFAOYSA-N
SMILES:
Nc1ncnn1c1ncccn1
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.065g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.156g/mol
Monoisotopic Mass:
162.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties