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

C11H13FN4 — CID 82472579

IUPAC2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCn1nc(CCN)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H13FN4/c1-16-11(14-10(15-16)6-7-13)8-2-4-9(12)5-3-8/h2-5H,6-7,13H2,1H3
InChIKeyZVWKROAVNSNXDN-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.12
Rot. Bonds3

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

2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82472579) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID82472579
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCn1nc(CCN)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H13FN4/c1-16-11(14-10(15-16)6-7-13)8-2-4-9(12)5-3-8/h2-5H,6-7,13H2,1H3
InChIKeyZVWKROAVNSNXDN-UHFFFAOYSA-N
XLogP1.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-methyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82480386
2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475862
4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 82479150
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 105492843
2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489655
[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82473301
1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)
CID 160958444
3-[5-(4-chlorophenyl)-1-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82486818
2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
CID 98017069
2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82479364
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 62745037

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine (CID 82472579) is 2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine is Cn1nc(CCN)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is ZVWKROAVNSNXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-16-11(14-10(15-16)6-7-13)8-2-4-9(12)5-3-8/h2-5H,6-7,13H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82472579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).