4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

C12H15BrN6O — CID 82825396

IUPAC4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(OCc2ccccc2Br)n1
InChIInChI=1S/C12H15BrN6O/c1-19(2)11-15-10(18-14)16-12(17-11)20-7-8-5-3-4-6-9(8)13/h3-6H,7,14H2,1-2H3,(H,15,16,17,18)
InChIKeyJKGFKEAAMDSSKQ-UHFFFAOYSA-N
MW339.20 g/mol
LogP1.56
Rot. Bonds5

About 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 82825396) has the molecular formula C12H15BrN6O and a molecular weight of 339.20 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID82825396
Molecular FormulaC12H15BrN6O
Molecular Weight339.20 g/mol
Exact Mass338.05
IUPAC Name4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(OCc2ccccc2Br)n1
InChIInChI=1S/C12H15BrN6O/c1-19(2)11-15-10(18-14)16-12(17-11)20-7-8-5-3-4-6-9(8)13/h3-6H,7,14H2,1-2H3,(H,15,16,17,18)
InChIKeyJKGFKEAAMDSSKQ-UHFFFAOYSA-N
XLogP1.56
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 82825396) is 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(NN)nc(OCc2ccccc2Br)n1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is JKGFKEAAMDSSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6O/c1-19(2)11-15-10(18-14)16-12(17-11)20-7-8-5-3-4-6-9(8)13/h3-6H,7,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 339.20 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82825396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).