Home Other Building Blocks 2-(3,5-dimethyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}-1H-pyrazol-4-yl)acetic acid

2-(3,5-dimethyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}-1H-pyrazol-4-yl)acetic acid

CAS No.:
1291943-51-5
Catalog Number:
AG01A1VZ
Molecular Formula:
C11H11N7O2
Molecular Weight:
273.2507
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Product Description
Catalog Number:
AG01A1VZ
Chemical Name:
2-(3,5-dimethyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}-1H-pyrazol-4-yl)acetic acid
CAS Number:
1291943-51-5
Molecular Formula:
C11H11N7O2
Molecular Weight:
273.2507
MDL Number:
MFCD22565967
IUPAC Name:
2-[3,5-dimethyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrazol-4-yl]acetic acid
InChI:
InChI=1S/C11H11N7O2/c1-6-8(3-11(19)20)7(2)17(14-6)10-5-12-4-9-13-15-16-18(9)10/h4-5H,3H2,1-2H3,(H,19,20)
InChI Key:
QIHLSJOIYFZJRX-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)nn(c1C)c1cncc2n1nnn2
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.097g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.256g/mol
Monoisotopic Mass:
273.097g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties