3-Hydrazino-1,2,8,9-tetraazaphenalene

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Basic information

CAS: 15527-07-8
Standard SMILES: NNc1nnc2c3c(cccc13)C=NN2
InChIKey: RGSQKHGIBGKBQB-UHFFFAOYSA-N
Molecular formula: C9H8N6
Average molar mass: 200.2 g/mol
Monoisotopic mass: 200.08104428

Names & identifiers

Preferred name: 3-Hydrazino-1,2,8,9-tetraazaphenalene
IUPAC: 2,3,11,12-tetrazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13),10-hexaen-4-ylhydrazine

Names & synonyms

3-Hydrazino-1,2,8,9-tetraazaphenalene1UWK14J188UNII-1UWK14J1881H-Pyridazino(3,4,5-de)phthalazine, 3-hydrazino-1H-Pyridazino(3,4,5-de)phthalazine, 7-hydrazino-15527-07-8SCHEMBL11884362

Database identifiers

CAS: 15527-07-8
PubChem CID: 31775
UNII: 1UWK14J188

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 88.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 267

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Compound notes

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