2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine

C12H15FN4 — CID 82475862

IUPAC2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCc1cc(-c2nc(CCN)nn2C)ccc1F
InChIInChI=1S/C12H15FN4/c1-8-7-9(3-4-10(8)13)12-15-11(5-6-14)16-17(12)2/h3-4,7H,5-6,14H2,1-2H3
InChIKeyGUCYJVPWLNDUNM-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.43
Rot. Bonds3

About 2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine

2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82475862) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID82475862
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCc1cc(-c2nc(CCN)nn2C)ccc1F
InChIInChI=1S/C12H15FN4/c1-8-7-9(3-4-10(8)13)12-15-11(5-6-14)16-17(12)2/h3-4,7H,5-6,14H2,1-2H3
InChIKeyGUCYJVPWLNDUNM-UHFFFAOYSA-N
XLogP1.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
2-[1-methyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82480386
4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 82479150
2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82129028
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478690
5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine
CID 82470102
2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489655
2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375590
2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
CID 62745029
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82129199

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine (CID 82475862) is 2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine is Cc1cc(-c2nc(CCN)nn2C)ccc1F.
What is the InChIKey of 2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is GUCYJVPWLNDUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-8-7-9(3-4-10(8)13)12-15-11(5-6-14)16-17(12)2/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 234.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82475862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).