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275-04-7 | Tetrazolo[5,1-c][1,2,4]triazine (9CI)
CAS No: 275-04-7 Catalog No: AG002TXT MDL No:
Product Description
Catalog Number:
AG002TXT
Chemical Name:
Tetrazolo[5,1-c][1,2,4]triazine (9CI)
CAS Number:
275-04-7
Molecular Formula:
C3H2N6
Molecular Weight:
122.0882
IUPAC Name:
tetrazolo[5,1-c][1,2,4]triazine
InChI:
InChI=1S/C3H2N6/c1-2-9-3(5-4-1)6-7-8-9/h1-2H
InChI Key:
LWSQCZTWVMJZCS-UHFFFAOYSA-N
SMILES:
n1ccn2c(n1)nnn2
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.034g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.091g/mol
Monoisotopic Mass:
122.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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