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

C12H14BrClN6O — CID 104725633

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C12H14BrClN6O/c1-3-21-12-18-10(17-11(19-12)20-15)16-9-5-8(14)6(2)4-7(9)13/h4-5H,3,15H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyQOKHFMLTCYBNEH-UHFFFAOYSA-N
MW373.64 g/mol
LogP3.02
Rot. Bonds5

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

N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (PubChem CID 104725633) has the molecular formula C12H14BrClN6O and a molecular weight of 373.64 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
PubChem CID104725633
Molecular FormulaC12H14BrClN6O
Molecular Weight373.64 g/mol
Exact Mass372.01
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C12H14BrClN6O/c1-3-21-12-18-10(17-11(19-12)20-15)16-9-5-8(14)6(2)4-7(9)13/h4-5H,3,15H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyQOKHFMLTCYBNEH-UHFFFAOYSA-N
XLogP3.02
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (CID 104725633) is N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(Nc2cc(Cl)c(C)cc2Br)n1.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The InChIKey is QOKHFMLTCYBNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN6O/c1-3-21-12-18-10(17-11(19-12)20-15)16-9-5-8(14)6(2)4-7(9)13/h4-5H,3,15H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine has a molecular weight of 373.64 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 104725633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).