N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine

C11H13BrN6O2 — CID 80905494

IUPACN-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(Nc2cc(Br)ccc2OC)n1
InChIInChI=1S/C11H13BrN6O2/c1-19-8-4-3-6(12)5-7(8)14-9-15-10(18-13)17-11(16-9)20-2/h3-5H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNMWJHJSFDUBSGQ-UHFFFAOYSA-N
MW341.17 g/mol
LogP1.68
Rot. Bonds5

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

N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80905494) has the molecular formula C11H13BrN6O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80905494
Molecular FormulaC11H13BrN6O2
Molecular Weight341.17 g/mol
Exact Mass340.03
IUPAC NameN-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(Nc2cc(Br)ccc2OC)n1
InChIInChI=1S/C11H13BrN6O2/c1-19-8-4-3-6(12)5-7(8)14-9-15-10(18-13)17-11(16-9)20-2/h3-5H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNMWJHJSFDUBSGQ-UHFFFAOYSA-N
XLogP1.68
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-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

Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80926064
N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 62858053
6-methoxy-2-N-(2-methoxy-5-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762691
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761817
2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80916230
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859182
N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859689
2-N-(2,5-dibromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80897605
[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 104708873
N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80913304

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (CID 80905494) is N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NN)nc(Nc2cc(Br)ccc2OC)n1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is NMWJHJSFDUBSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6O2/c1-19-8-4-3-6(12)5-7(8)14-9-15-10(18-13)17-11(16-9)20-2/h3-5H,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 341.17 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80905494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).