Home Aminos 2-{2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid

2-{2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid

CAS No.:
848178-46-1
Catalog Number:
AG00IDG7
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
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Product Description
Catalog Number:
AG00IDG7
Chemical Name:
2-{2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid
CAS Number:
848178-46-1
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
MDL Number:
MFCD07323645
IUPAC Name:
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
InChI:
InChI=1S/C9H11N5O2/c1-4-6(3-7(15)16)5(2)14-9(11-4)12-8(10)13-14/h3H2,1-2H3,(H2,10,13)(H,15,16)
InChI Key:
GQYINQKBXXAJOP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)nc2n(c1C)nc(n2)N
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.091g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.22g/mol
Monoisotopic Mass:
221.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties