[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine

C11H12BrN5O3 — CID 104708873

IUPAC[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1ccc(Oc2nc(NN)nc(OC)n2)c(Br)c1
InChIInChI=1S/C11H12BrN5O3/c1-18-6-3-4-8(7(12)5-6)20-11-15-9(17-13)14-10(16-11)19-2/h3-5H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyNABTUVQUIAQRER-UHFFFAOYSA-N
MW342.15 g/mol
LogP1.73
Rot. Bonds5

About [4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine

[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 104708873) has the molecular formula C11H12BrN5O3 and a molecular weight of 342.15 g/mol. Its IUPAC name is [4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID104708873
Molecular FormulaC11H12BrN5O3
Molecular Weight342.15 g/mol
Exact Mass341.01
IUPAC Name[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1ccc(Oc2nc(NN)nc(OC)n2)c(Br)c1
InChIInChI=1S/C11H12BrN5O3/c1-18-6-3-4-8(7(12)5-6)20-11-15-9(17-13)14-10(16-11)19-2/h3-5H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyNABTUVQUIAQRER-UHFFFAOYSA-N
XLogP1.73
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 83145198
[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909705
[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80917593
[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol
CID 107745217
[4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
CID 104708879
[4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80916071
4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 104708820
[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915610
2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
CID 116798025
[4-(4-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80917858
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
[4-(3,5-dichlorophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80919855

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (CID 104708873) is [4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is COc1ccc(Oc2nc(NN)nc(OC)n2)c(Br)c1.
What is the InChIKey of [4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is NABTUVQUIAQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O3/c1-18-6-3-4-8(7(12)5-6)20-11-15-9(17-13)14-10(16-11)19-2/h3-5H,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of [4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 342.15 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 104708873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).