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

C11H11BrFN5O2 — CID 114677402

IUPAC[4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C11H11BrFN5O2/c1-2-19-10-15-9(18-14)16-11(17-10)20-8-5-6(12)3-4-7(8)13/h3-5H,2,14H2,1H3,(H,15,16,17,18)
InChIKeyRYKDDXNRFRNBCN-UHFFFAOYSA-N
MW344.14 g/mol
LogP2.25
Rot. Bonds5

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

[4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 114677402) has the molecular formula C11H11BrFN5O2 and a molecular weight of 344.14 g/mol. Its IUPAC name is [4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID114677402
Molecular FormulaC11H11BrFN5O2
Molecular Weight344.14 g/mol
Exact Mass343.01
IUPAC Name[4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C11H11BrFN5O2/c1-2-19-10-15-9(18-14)16-11(17-10)20-8-5-6(12)3-4-7(8)13/h3-5H,2,14H2,1H3,(H,15,16,17,18)
InChIKeyRYKDDXNRFRNBCN-UHFFFAOYSA-N
XLogP2.25
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.14
LogP ≤ 52.25
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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Related Compounds

[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80921400
[4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925530
6-(5-bromo-2-fluorophenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114677283
4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 114671732
[4-(3-bromophenyl)sulfanyl-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929944
[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911575
N-(4-bromo-2-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80913147
[4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine
CID 80906142
(4-ethoxy-6-pyridin-3-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80916557
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
CID 114677310

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine (CID 114677402) is [4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(Oc2cc(Br)ccc2F)n1.
What is the InChIKey of [4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is RYKDDXNRFRNBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN5O2/c1-2-19-10-15-9(18-14)16-11(17-10)20-8-5-6(12)3-4-7(8)13/h3-5H,2,14H2,1H3,(H,15,16,17,18).
What are the key properties of [4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 344.14 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 114677402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).