Home Other Building Blocks 3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

CAS No.:
1508182-30-6
Catalog Number:
AG01DTBE
Molecular Formula:
C6H8N6
Molecular Weight:
164.1679
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Product Description
Catalog Number:
AG01DTBE
Chemical Name:
3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CAS Number:
1508182-30-6
Molecular Formula:
C6H8N6
Molecular Weight:
164.1679
MDL Number:
MFCD31559622
IUPAC Name:
3-ethyltriazolo[4,5-d]pyrimidin-7-amine
InChI:
InChI=1S/C6H8N6/c1-2-12-6-4(10-11-12)5(7)8-3-9-6/h3H,2H2,1H3,(H2,7,8,9)
InChI Key:
HQRJIVPVJCMYNL-UHFFFAOYSA-N
SMILES:
CCn1nnc2c1ncnc2N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.081g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.172g/mol
Monoisotopic Mass:
164.081g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties