Home Other Building Blocks 4-(1H-1,2,3,4-tetrazol-5-yl)pyrimidine

4-(1H-1,2,3,4-tetrazol-5-yl)pyrimidine

CAS No.:
92306-69-9
Catalog Number:
AG01ANAD
Molecular Formula:
C5H4N6
Molecular Weight:
148.1255
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Product Description
Catalog Number:
AG01ANAD
Chemical Name:
4-(1H-1,2,3,4-tetrazol-5-yl)pyrimidine
CAS Number:
92306-69-9
Molecular Formula:
C5H4N6
Molecular Weight:
148.1255
MDL Number:
MFCD19626414
IUPAC Name:
4-(2H-tetrazol-5-yl)pyrimidine
InChI:
InChI=1S/C5H4N6/c1-2-6-3-7-4(1)5-8-10-11-9-5/h1-3H,(H,8,9,10,11)
InChI Key:
TYYLJWSPZRCEFT-UHFFFAOYSA-N
SMILES:
n1ccc(nc1)c1nnn[nH]1
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.05g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.129g/mol
Monoisotopic Mass:
148.05g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties