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

C12H15FN6O — CID 114254280

IUPAC4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2cccc(C)c2F)n1
InChIInChI=1S/C12H15FN6O/c1-3-20-12-17-10(16-11(18-12)19-14)15-8-6-4-5-7(2)9(8)13/h4-6H,3,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyATPYRIGKUFKGMI-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.75
Rot. Bonds5

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

4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine (PubChem CID 114254280) has the molecular formula C12H15FN6O and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
PubChem CID114254280
Molecular FormulaC12H15FN6O
Molecular Weight278.29 g/mol
Exact Mass278.13
IUPAC Name4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2cccc(C)c2F)n1
InChIInChI=1S/C12H15FN6O/c1-3-20-12-17-10(16-11(18-12)19-14)15-8-6-4-5-7(2)9(8)13/h4-6H,3,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyATPYRIGKUFKGMI-UHFFFAOYSA-N
XLogP1.75
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.75
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-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
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-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 104725633
N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911666
4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine
CID 80911422
N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900644
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80927875
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
4-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80928587
4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine (CID 114254280) is 4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(Nc2cccc(C)c2F)n1.
What is the InChIKey of 4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine?
The InChIKey is ATPYRIGKUFKGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6O/c1-3-20-12-17-10(16-11(18-12)19-14)15-8-6-4-5-7(2)9(8)13/h4-6H,3,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine?
4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine has a molecular weight of 278.29 g/mol, XLogP of 1.75, 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-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 114254280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).