4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine

C11H13FN6O — CID 80928193

IUPAC4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2ccccc2F)n1
InChIInChI=1S/C11H13FN6O/c1-2-19-11-16-9(15-10(17-11)18-13)14-8-6-4-3-5-7(8)12/h3-6H,2,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyIRLVWABOUYDRCS-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.44
Rot. Bonds5

About 4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine

4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine (PubChem CID 80928193) has the molecular formula C11H13FN6O and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
PubChem CID80928193
Molecular FormulaC11H13FN6O
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2ccccc2F)n1
InChIInChI=1S/C11H13FN6O/c1-2-19-11-16-9(15-10(17-11)18-13)14-8-6-4-3-5-7(8)12/h3-6H,2,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyIRLVWABOUYDRCS-UHFFFAOYSA-N
XLogP1.44
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.44
H-Bond Donors ≤ 53
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-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114254280
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931014
N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931418
N-(4-bromo-2-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80913147
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900644
4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80760788
2-N-(4-bromo-2-fluorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80760222
6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754761
4-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80928587

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine (CID 80928193) is 4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(Nc2ccccc2F)n1.
What is the InChIKey of 4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine?
The InChIKey is IRLVWABOUYDRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6O/c1-2-19-11-16-9(15-10(17-11)18-13)14-8-6-4-3-5-7(8)12/h3-6H,2,13H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine?
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine has a molecular weight of 264.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80928193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).