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

C16H21FN4 — CID 105362741

IUPAC5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCc2ccc(F)cc2C)nc1CC
InChIInChI=1S/C16H21FN4/c1-4-14-15(5-2)20-21-16(19-14)18-9-8-12-6-7-13(17)10-11(12)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19,21)
InChIKeyZMYKXBLWBBLBCA-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.10
Rot. Bonds6

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

5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 105362741) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine
PubChem CID105362741
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCc2ccc(F)cc2C)nc1CC
InChIInChI=1S/C16H21FN4/c1-4-14-15(5-2)20-21-16(19-14)18-9-8-12-6-7-13(17)10-11(12)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19,21)
InChIKeyZMYKXBLWBBLBCA-UHFFFAOYSA-N
XLogP3.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544870
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852616
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80852017
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106963148
N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80926608
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80944222
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157
3,5-dichloro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102762299
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80852310
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362226
1-cyclopropyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylimidazol-2-amine
CID 106576890

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine (CID 105362741) is 5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine is CCc1nnc(NCCc2ccc(F)cc2C)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is ZMYKXBLWBBLBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-4-14-15(5-2)20-21-16(19-14)18-9-8-12-6-7-13(17)10-11(12)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19,21).
What are the key properties of 5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 288.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).