5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine

C16H21FN4 — CID 105362742

IUPAC5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC(C)c2ccc(C)c(F)c2)nc1CC
InChIInChI=1S/C16H21FN4/c1-5-14-15(6-2)20-21-16(19-14)18-11(4)12-8-7-10(3)13(17)9-12/h7-9,11H,5-6H2,1-4H3,(H,18,19,21)
InChIKeyDYELLUYLFRRJSF-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.62
Rot. Bonds5

About 5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 105362742) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine
PubChem CID105362742
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC(C)c2ccc(C)c(F)c2)nc1CC
InChIInChI=1S/C16H21FN4/c1-5-14-15(6-2)20-21-16(19-14)18-11(4)12-8-7-10(3)13(17)9-12/h7-9,11H,5-6H2,1-4H3,(H,18,19,21)
InChIKeyDYELLUYLFRRJSF-UHFFFAOYSA-N
XLogP3.62
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine (CID 105362742) is 5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine is CCc1nnc(NC(C)c2ccc(C)c(F)c2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is DYELLUYLFRRJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-5-14-15(6-2)20-21-16(19-14)18-11(4)12-8-7-10(3)13(17)9-12/h7-9,11H,5-6H2,1-4H3,(H,18,19,21).
What are the key properties of 5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 288.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).