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73718-28-2 | NICOTINALDEHYDE 5H-(1,2,4)TRIAZINO[5,6-B]INDOL-3-YLHYDRAZONE
CAS No: 73718-28-2 Catalog No: AG005BVH MDL No:
Product Description
Catalog Number:
AG005BVH
Chemical Name:
NICOTINALDEHYDE 5H-(1,2,4)TRIAZINO[5,6-B]INDOL-3-YLHYDRAZONE
CAS Number:
73718-28-2
Molecular Formula:
C15H11N7
Molecular Weight:
289.2947
IUPAC Name:
N-[(E)-pyridin-3-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
InChI:
InChI=1S/C15H11N7/c1-2-6-12-11(5-1)13-14(18-12)19-15(22-20-13)21-17-9-10-4-3-7-16-8-10/h1-9H,(H2,18,19,21,22)/b17-9+
InChI Key:
RSFGPHAYVGOZNX-RQZCQDPDSA-N
SMILES:
c1ccc(cn1)C=NNc1nnc2c(n1)[nH]c1c2cccc1
NSC Number:
361672
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
289.108g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.302g/mol
Monoisotopic Mass:
289.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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