Home Other Building Blocks 3-{dimethyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}propanoic acid

3-{dimethyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}propanoic acid

CAS No.:
1016504-48-5
Catalog Number:
AG01A1AT
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
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Product Description
Catalog Number:
AG01A1AT
Chemical Name:
3-{dimethyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CAS Number:
1016504-48-5
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
MDL Number:
MFCD09806733
IUPAC Name:
3-(5,7-dimethyltetrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
InChI:
InChI=1S/C9H11N5O2/c1-5-7(3-4-8(15)16)6(2)14-9(10-5)11-12-13-14/h3-4H2,1-2H3,(H,15,16)
InChI Key:
ADVLGJJDWHXEDZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)nc2n(c1C)nnn2
Properties
Complexity:
275  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
221.22g/mol
Monoisotopic Mass:
221.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties