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

C12H14FN5O2 — CID 80921400

IUPAC[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Oc2cc(C)ccc2F)n1
InChIInChI=1S/C12H14FN5O2/c1-3-19-11-15-10(18-14)16-12(17-11)20-9-6-7(2)4-5-8(9)13/h4-6H,3,14H2,1-2H3,(H,15,16,17,18)
InChIKeyUPQDVOXJMXFWPF-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.80
Rot. Bonds5

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

[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80921400) has the molecular formula C12H14FN5O2 and a molecular weight of 279.28 g/mol. Its IUPAC name is [4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80921400
Molecular FormulaC12H14FN5O2
Molecular Weight279.28 g/mol
Exact Mass279.11
IUPAC Name[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(Oc2cc(C)ccc2F)n1
InChIInChI=1S/C12H14FN5O2/c1-3-19-11-15-10(18-14)16-12(17-11)20-9-6-7(2)4-5-8(9)13/h4-6H,3,14H2,1-2H3,(H,15,16,17,18)
InChIKeyUPQDVOXJMXFWPF-UHFFFAOYSA-N
XLogP1.80
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.80
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'}

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

[4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 114677402
[4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925530
4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931418
6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754761
[4-(2-fluoro-5-methylphenoxy)quinazolin-2-yl]hydrazine
CID 80925069
[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911575
[4-(2-fluoro-5-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336348
[4-ethoxy-6-[2-[(E)-prop-1-enyl]phenoxy]-1,3,5-triazin-2-yl]hydrazine
CID 80906142
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
(4-ethoxy-6-pyridin-3-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80916557
4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 80908177

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine (CID 80921400) is [4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(Oc2cc(C)ccc2F)n1.
What is the InChIKey of [4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is UPQDVOXJMXFWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c1-3-19-11-15-10(18-14)16-12(17-11)20-9-6-7(2)4-5-8(9)13/h4-6H,3,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of [4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine?
[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 279.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80921400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).