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

C11H12BrN5O2 — CID 83145198

IUPAC[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C11H12BrN5O2/c1-6-5-7(3-4-8(6)12)19-11-15-9(17-13)14-10(16-11)18-2/h3-5H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyITIZURRAAUYOAN-UHFFFAOYSA-N
MW326.15 g/mol
LogP2.03
Rot. Bonds4

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

[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 83145198) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is [4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID83145198
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Oc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C11H12BrN5O2/c1-6-5-7(3-4-8(6)12)19-11-15-9(17-13)14-10(16-11)18-2/h3-5H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyITIZURRAAUYOAN-UHFFFAOYSA-N
XLogP2.03
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 52.03
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'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (CID 83145198) is [4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(Oc2ccc(Br)c(C)c2)n1.
What is the InChIKey of [4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is ITIZURRAAUYOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c1-6-5-7(3-4-8(6)12)19-11-15-9(17-13)14-10(16-11)18-2/h3-5H,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of [4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 326.15 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 83145198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).