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327031-55-0 | 6-methyl-3-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-5H-[1,2,4]triazino[5,6-b]indole
CAS No: 327031-55-0 Catalog No: AG01BIWH MDL No:MFCD01305422
Product Description
Catalog Number:
AG01BIWH
Chemical Name:
6-methyl-3-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-5H-[1,2,4]triazino[5,6-b]indole
CAS Number:
327031-55-0
Molecular Formula:
C17H15N7
Molecular Weight:
317.3479
MDL Number:
MFCD01305422
IUPAC Name:
6-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
InChI:
InChI=1S/C17H15N7/c1-10-6-5-7-12-14(10)19-16-15(12)22-24-17(20-16)23-21-11(2)13-8-3-4-9-18-13/h3-9H,1-2H3,(H2,19,20,23,24)/b21-11+
InChI Key:
UQOSBPRTQFFUOA-SRZZPIQSSA-N
SMILES:
CC(=NNc1nnc2c(n1)[nH]c1c2cccc1C)c1ccccn1
UNII:
YZO6DG19MG
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
317.139g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.356g/mol
Monoisotopic Mass:
317.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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