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

C11H13FN4 — CID 116641620

IUPAC2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine
SMILESCc1cc(F)cc(-n2cc(CCN)nn2)c1
InChIInChI=1S/C11H13FN4/c1-8-4-9(12)6-11(5-8)16-7-10(2-3-13)14-15-16/h4-7H,2-3,13H2,1H3
InChIKeyLDPYAQPHFKPEIJ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.22
Rot. Bonds3

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

2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine (PubChem CID 116641620) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine
PubChem CID116641620
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine
SMILESCc1cc(F)cc(-n2cc(CCN)nn2)c1
InChIInChI=1S/C11H13FN4/c1-8-4-9(12)6-11(5-8)16-7-10(2-3-13)14-15-16/h4-7H,2-3,13H2,1H3
InChIKeyLDPYAQPHFKPEIJ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-(3-fluoro-5-methylphenyl)triazole
CID 79046943
2-[1-(3,4,5-trifluorophenyl)triazol-4-yl]ethanamine
CID 116641604
2-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanamine
CID 116641612
4-(bromomethyl)-1-(3,5-difluorophenyl)triazole
CID 62402108
2-[1-(4-ethyl-3-methylphenyl)triazol-4-yl]ethanamine
CID 114250514
1-(3-chloro-5-fluorophenyl)-4-(chloromethyl)triazole
CID 107370651
2-[1-(4-methyl-3-nitrophenyl)triazol-4-yl]ethanamine
CID 116641573
2-[1-(2-bromo-4-methyl-6-nitrophenyl)triazol-4-yl]ethanamine
CID 116813867
2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine
CID 116641627
3-[1-[4-methyl-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
CID 106220554
3-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 114159959
4-[2-(3,5-dimethylphenyl)ethyl]-1-phenyltriazole
CID 112717224

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine (CID 116641620) is 2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine is Cc1cc(F)cc(-n2cc(CCN)nn2)c1.
What is the InChIKey of 2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine?
The InChIKey is LDPYAQPHFKPEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-8-4-9(12)6-11(5-8)16-7-10(2-3-13)14-15-16/h4-7H,2-3,13H2,1H3.
What are the key properties of 2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine?
2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 116641620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).