Home Other Building Blocks 6-(1H-1,2,3,4-tetrazol-5-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-(1H-1,2,3,4-tetrazol-5-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

CAS No.:
161372-20-9
Catalog Number:
AG01B4GN
Molecular Formula:
C6H4N8O
Molecular Weight:
204.1490
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Product Description
Catalog Number:
AG01B4GN
Chemical Name:
6-(1H-1,2,3,4-tetrazol-5-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CAS Number:
161372-20-9
Molecular Formula:
C6H4N8O
Molecular Weight:
204.1490
MDL Number:
MFCD24589686
IUPAC Name:
6-(2H-tetrazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C6H4N8O/c15-5-3(4-10-12-13-11-4)1-7-6-8-2-9-14(5)6/h1-2H,(H,7,8,9)(H,10,11,12,13)
InChI Key:
CHUWWWHGKCHHAH-UHFFFAOYSA-N
SMILES:
O=c1c(c[nH]c2n1ncn2)c1nnn[nH]1
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.153g/mol
Monoisotopic Mass:
204.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  
Properties