(3,3'-Bi-1,2,4,5-tetrazine)-6,6'(1H,1'H)-dione, octahydro-1,1',5,5'-tetramethyl-

HCID 335498

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Basic information

CAS: 87774-20-7
Standard SMILES: CN1NC(C2NN(C)C(=O)N(C)N2)NN(C)C1=O
InChIKey: LIHUMEUDJCOHRH-UHFFFAOYSA-N
Molecular formula: C8H18N8O2
Average molar mass: 258.28 g/mol
Monoisotopic mass: 258.15527185

Names & identifiers

Preferred name: (3,3'-Bi-1,2,4,5-tetrazine)-6,6'(1H,1'H)-dione, octahydro-1,1',5,5'-tetramethyl-
IUPAC: 6-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)-2,4-dimethyl-1,2,4,5-tetrazinan-3-one

Names & synonyms

87774-20-7NSC345301NSC 345301(3,3'-Bi-1,2,4,5-tetrazine)-6,6'(1H,1'H)-dione, octahydro-1,1',5,5'-tetramethyl-[3,3'-Bi-1,2,4,5-tetrazine]-6,6'(1H,1'H)-dione, octahydro-1,1',5,5'-tetramethyl-DTXSID80236623NSC-3453016-(1,5-dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)-2,4-dimethyl-1,2,4,5-tetrazinan-3-one1,1',5,5'-Tetramethyl[3,3'-bi-1,2,4,5-tetrazinane]-6,6'-dione

Database identifiers

CAS: 87774-20-7
PubChem CID: 335498
DTXSID: DTXSID80236623

Properties

Computed structural properties

XLogP: -1.8
Topological polar surface area: 95.2 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 301

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