Mls003171037

HCID 335461

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Basic information

CAS: 74809-00-0
Standard SMILES: CN1NC(c2ccccc2)NN(C)C1=O
InChIKey: DLBKJGAAXYOKMT-UHFFFAOYSA-N
Molecular formula: C10H14N4O
Average molar mass: 206.24 g/mol
Monoisotopic mass: 206.11676108

Names & identifiers

Preferred name: Mls003171037
IUPAC: 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-one

Names & synonyms

MLS00317103774809-00-0DTXSID40319406RefChem:357341DTXCID002705292,4-dimethyl-6-phenyl-1,2,4,5-tetrazinan-3-oneNSC345154CHEMBL2135346NSC-345154SMR001874947

Database identifiers

CAS: 74809-00-0
PubChem CID: 335461
DTXSID: DTXSID40319406
ChEMBL: CHEMBL2135346
Nikkaji: J3.048.518A

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 226

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