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

C12H14BrN5O2 — CID 80925530

IUPAC[4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C12H14BrN5O2/c1-3-19-11-15-10(18-14)16-12(17-11)20-9-5-4-8(13)6-7(9)2/h4-6H,3,14H2,1-2H3,(H,15,16,17,18)
InChIKeySVTHZMUKSDBDKA-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.42
Rot. Bonds5

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

[4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80925530) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is [4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80925530
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name[4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C12H14BrN5O2/c1-3-19-11-15-10(18-14)16-12(17-11)20-9-5-4-8(13)6-7(9)2/h4-6H,3,14H2,1-2H3,(H,15,16,17,18)
InChIKeySVTHZMUKSDBDKA-UHFFFAOYSA-N
XLogP2.42
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.42
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-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 114677402
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80879229
[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80921400
6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80880161
[4-(3-bromophenyl)sulfanyl-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929944
2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115401784
[4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine
CID 80906142
N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931418
2-N-(4-bromo-2-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80759920
(4-ethoxy-6-pyridin-3-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80916557
N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 104725633
[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924994

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine (CID 80925530) is [4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(Oc2ccc(Br)cc2C)n1.
What is the InChIKey of [4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is SVTHZMUKSDBDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-3-19-11-15-10(18-14)16-12(17-11)20-9-5-4-8(13)6-7(9)2/h4-6H,3,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of [4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 340.18 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80925530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).