2-Benzylamino-S-triazine

HCID 19954

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Basic information

CAS: 4040-01-1
Standard SMILES: c1ccc(CNc2ncncn2)cc1
InChIKey: GPDBXEIESLHVLJ-UHFFFAOYSA-N
Molecular formula: C10H10N4
Average molar mass: 186.21 g/mol
Monoisotopic mass: 186.09054634

Names & identifiers

Preferred name: 2-Benzylamino-S-triazine
IUPAC: N-benzyl-1,3,5-triazin-2-amine

Names & synonyms

2-BENZYLAMINO-S-TRIAZINE4040-01-1DTXSID30274656RefChem:256594DTXCID70226119N-benzyl-1,3,5-triazin-2-amine2-Benzylamino-1,3,5-triazineSCHEMBL9779691CHEMBL2269427

Database identifiers

CAS: 4040-01-1
PubChem CID: 19954
DTXSID: DTXSID30274656
ChEMBL: CHEMBL2269427
Nikkaji: J1.077.249D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 150

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