N-(3,5-Di-4-pyridyl-s-triazol-4-yl)isonicotinamide, dihydrochloride

N-[3,5-di(pyridin-1-ium-1-yl)-1,2,4-triazol-1-yl]pyridine-4-carboxamide dichloride

CAS: 67292-79-9

Molecular Formula	`C18H15Cl2N7O`
Molecular Weight	416.3 g/mol
Topological Polar Surface Area	80.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	415.0715
Heavy Atoms	28
Complexity	458.0

Chemical Identifiers

CAS Number	67292-79-9
SMILES	`C1=CC=[N+](C=C1)C2=NN(C(=N2)[N+]3=CC=CC=C3)NC(=O)C4=CC=NC=C4.[Cl-].[Cl-]`
InChIKey	`OXSUXZDHVYPJLU-UHFFFAOYSA-M`

📖 Product Overview

N-(3,5-Di-4-pyridyl-s-triazol-4-yl)isonicotinamide, dihydrochloride (CAS: 67292-79-9) is a chemical compound with molecular formula C18H15Cl2N7O and molecular weight 416.3 g/mol. Its IUPAC systematic name is N-[3,5-di(pyridin-1-ium-1-yl)-1,2,4-triazol-1-yl]pyridine-4-carboxamide dichloride. Topological Polar Surface Area 80.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 415.0715 Heavy Atoms 28 Complexity 458.0 InChI Key: OXSUXZDHVYPJLU-UHFFFAOYSA-M. SMILES: C1=CC=[N+](C=C1)C2=NN(C(=N2)[N+]3=CC=CC=C3)NC(=O)C4=CC=NC=C4.[Cl-].[Cl-].

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