N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine

C12H15BrN6O — CID 80931418

IUPACN-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C12H15BrN6O/c1-3-20-12-17-10(16-11(18-12)19-14)15-9-5-4-7(2)6-8(9)13/h4-6H,3,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeySRIYEDKVISFOAS-UHFFFAOYSA-N
MW339.20 g/mol
LogP2.37
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine

N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (PubChem CID 80931418) has the molecular formula C12H15BrN6O and a molecular weight of 339.20 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
PubChem CID80931418
Molecular FormulaC12H15BrN6O
Molecular Weight339.20 g/mol
Exact Mass338.05
IUPAC NameN-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C12H15BrN6O/c1-3-20-12-17-10(16-11(18-12)19-14)15-9-5-4-7(2)6-8(9)13/h4-6H,3,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeySRIYEDKVISFOAS-UHFFFAOYSA-N
XLogP2.37
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 104725633
N-(2-bromo-4-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80912510
4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114254280
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754761
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931014
2-N-(4-bromo-2-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80759920
[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80921400
N-(4-bromo-2-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80913147
4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547837

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (CID 80931418) is N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(Nc2ccc(C)cc2Br)n1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The InChIKey is SRIYEDKVISFOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6O/c1-3-20-12-17-10(16-11(18-12)19-14)15-9-5-4-7(2)6-8(9)13/h4-6H,3,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine has a molecular weight of 339.20 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80931418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).