2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine

C12H11FN4 — CID 115037655

IUPAC2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
SMILESNCCc1nnc2ccc3cccc(F)c3n12
InChIInChI=1S/C12H11FN4/c13-9-3-1-2-8-4-5-10-15-16-11(6-7-14)17(10)12(8)9/h1-5H,6-7,14H2
InChIKeyRGKQATDHOJEXLK-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.52
Rot. Bonds2

About 2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine

2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine (PubChem CID 115037655) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
PubChem CID115037655
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
SMILESNCCc1nnc2ccc3cccc(F)c3n12
InChIInChI=1S/C12H11FN4/c13-9-3-1-2-8-4-5-10-15-16-11(6-7-14)17(10)12(8)9/h1-5H,6-7,14H2
InChIKeyRGKQATDHOJEXLK-UHFFFAOYSA-N
XLogP1.52
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol
CID 115036643
3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine
CID 115043771
2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 82167050
3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 105447953
(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol
CID 105433265
2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 116822333
(9-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanol
CID 115038111
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine
CID 83866669
1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline
CID 699634
7-fluoroindol-1-amine
CID 96636191
9-fluoroimidazo[1,2-a]quinoline-2-carboxylic acid
CID 115037584

Frequently Asked Questions

What is the IUPAC name of 2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine?
The IUPAC name of 2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine (CID 115037655) is 2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine.
What is the SMILES notation for 2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine?
The canonical SMILES for 2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine is NCCc1nnc2ccc3cccc(F)c3n12.
What is the InChIKey of 2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine?
The InChIKey is RGKQATDHOJEXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c13-9-3-1-2-8-4-5-10-15-16-11(6-7-14)17(10)12(8)9/h1-5H,6-7,14H2.
What are the key properties of 2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine?
2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine has a molecular weight of 230.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine is sourced from PubChem (CID 115037655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).