Home Other Building Blocks 1-{4,5-dimethyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}ethan-1-one

1-{4,5-dimethyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}ethan-1-one

CAS No.:
1803609-25-7
Catalog Number:
AG01AL3O
Molecular Formula:
C8H11N5O
Molecular Weight:
193.2058
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Product Description
Catalog Number:
AG01AL3O
Chemical Name:
1-{4,5-dimethyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
CAS Number:
1803609-25-7
Molecular Formula:
C8H11N5O
Molecular Weight:
193.2058
MDL Number:
MFCD28954229
IUPAC Name:
1-(4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)ethanone
InChI:
InChI=1S/C8H11N5O/c1-5-7(6(2)14)4-13-8(12(5)3)9-10-11-13/h4H2,1-3H3
InChI Key:
YOWGHXCEJRJXPI-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(C)N(c2n(C1)nnn2)C
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.096g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.21g/mol
Monoisotopic Mass:
193.096g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties