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

C15H19FN4 — CID 105362538

IUPAC5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC(C)c2cccc(F)c2)nc1CC
InChIInChI=1S/C15H19FN4/c1-4-13-14(5-2)19-20-15(18-13)17-10(3)11-7-6-8-12(16)9-11/h6-10H,4-5H2,1-3H3,(H,17,18,20)
InChIKeyBHTULQRJFIZUIV-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.31
Rot. Bonds5

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

5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 105362538) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
PubChem CID105362538
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC(C)c2cccc(F)c2)nc1CC
InChIInChI=1S/C15H19FN4/c1-4-13-14(5-2)19-20-15(18-13)17-10(3)11-7-6-8-12(16)9-11/h6-10H,4-5H2,1-3H3,(H,17,18,20)
InChIKeyBHTULQRJFIZUIV-UHFFFAOYSA-N
XLogP3.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine
CID 105362742
4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62857670
5-bromo-2-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802050
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80783798
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
CID 105362359
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 105362419
4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113496011
N-[1-(3-fluorophenyl)ethyl]-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
CID 166260313

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine (CID 105362538) is 5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine is CCc1nnc(NC(C)c2cccc(F)c2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is BHTULQRJFIZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-13-14(5-2)19-20-15(18-13)17-10(3)11-7-6-8-12(16)9-11/h6-10H,4-5H2,1-3H3,(H,17,18,20).
What are the key properties of 5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[1-(3-fluorophenyl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 274.34 g/mol, XLogP of 3.31, 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-fluorophenyl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).