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Home > Pyridines > 121845-89-4
121845-89-4 | Spiro[cyclohexane-1,3'(4'H)-pyrido[3,4-e][1,2,4]triazine]
CAS No: 121845-89-4 Catalog No: AG00164D MDL No:
Product Description
Catalog Number:
AG00164D
Chemical Name:
Spiro[cyclohexane-1,3'(4'H)-pyrido[3,4-e][1,2,4]triazine]
CAS Number:
121845-89-4
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
IUPAC Name:
spiro[4H-pyrido[3,4-e][1,2,4]triazine-3,1'-cyclohexane]
InChI:
InChI=1S/C11H14N4/c1-2-5-11(6-3-1)13-10-8-12-7-4-9(10)14-15-11/h4,7-8,13H,1-3,5-6H2
InChI Key:
JMMZBZOKVUQRKT-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)N=Nc1c(N2)cncc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.261g/mol
Monoisotopic Mass:
202.122g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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