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Home > Indoles and Oxindole > 245-11-4
245-11-4 | 9H-1,2,4-Triazino[6,5-b]indole
CAS No: 245-11-4 Catalog No: AG002OCC MDL No:
Product Description
Catalog Number:
AG002OCC
Chemical Name:
9H-1,2,4-Triazino[6,5-b]indole
CAS Number:
245-11-4
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
IUPAC Name:
9H-[1,2,4]triazino[6,5-b]indole
InChI:
InChI=1S/C9H6N4/c1-2-4-7-6(3-1)8-9(12-7)13-11-5-10-8/h1-5H,(H,12,13)
InChI Key:
QSQCVMFJHYEOLD-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]c1c2ncnn1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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