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

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

CAS No.:
1803595-71-2
Catalog Number:
AG01BBZB
Molecular Formula:
C7H9N5O
Molecular Weight:
179.1793
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Product Description
Catalog Number:
AG01BBZB
Chemical Name:
1-{5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
CAS Number:
1803595-71-2
Molecular Formula:
C7H9N5O
Molecular Weight:
179.1793
MDL Number:
MFCD28714666
IUPAC Name:
1-(5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl)ethanone
InChI:
InChI=1S/C7H9N5O/c1-4-6(5(2)13)3-12-7(8-4)9-10-11-12/h3H2,1-2H3,(H,8,9,11)
InChI Key:
OCRFNVQNVZCITG-UHFFFAOYSA-N
SMILES:
CC1=C(Cn2c(N1)nnn2)C(=O)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.081g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.183g/mol
Monoisotopic Mass:
179.081g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties