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80161-12-2 | ISOXAZOLO[4,5-E]-1,2,4-TRIAZOLO[4,3-C]PYRIMIDINE
CAS No: 80161-12-2 Catalog No: AG0054M9 MDL No:
Product Description
Catalog Number:
AG0054M9
Chemical Name:
ISOXAZOLO[4,5-E]-1,2,4-TRIAZOLO[4,3-C]PYRIMIDINE
CAS Number:
80161-12-2
Molecular Formula:
C6H3N5O
Molecular Weight:
161.1209
IUPAC Name:
10-oxa-3,4,6,8,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
InChI:
InChI=1S/C6H3N5O/c1-4-5-10-8-3-11(5)2-7-6(4)12-9-1/h1-3H
InChI Key:
LPOHEHUKDXYLPP-UHFFFAOYSA-N
SMILES:
n1oc2c(c1)c1nncn1cn2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.124g/mol
Monoisotopic Mass:
161.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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