1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol

C12H12N4O — CID 115036643

IUPAC1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol
SMILESNCCc1nnc2ccc3cccc(O)c3n12
InChIInChI=1S/C12H12N4O/c13-7-6-11-15-14-10-5-4-8-2-1-3-9(17)12(8)16(10)11/h1-5,17H,6-7,13H2
InChIKeyNMFHWAYKGSUFGN-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.09
Rot. Bonds2

About 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol

1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol (PubChem CID 115036643) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol
PubChem CID115036643
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol
SMILESNCCc1nnc2ccc3cccc(O)c3n12
InChIInChI=1S/C12H12N4O/c13-7-6-11-15-14-10-5-4-8-2-1-3-9(17)12(8)16(10)11/h1-5,17H,6-7,13H2
InChIKeyNMFHWAYKGSUFGN-UHFFFAOYSA-N
XLogP1.09
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol with MolForge

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Related Compounds

2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 115037655
2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 82167050
3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine
CID 115043771
1-amino-2-propylimidazo[1,2-a]quinolin-9-ol
CID 141154177
3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 105447953
1-bromoimidazo[1,2-a]quinolin-9-ol
CID 115049066
3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol
CID 117253162
1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028680
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005753
2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 116822333
(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol
CID 105433265

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol?
The IUPAC name of 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol (CID 115036643) is 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol.
What is the SMILES notation for 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol?
The canonical SMILES for 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol is NCCc1nnc2ccc3cccc(O)c3n12.
What is the InChIKey of 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol?
The InChIKey is NMFHWAYKGSUFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-7-6-11-15-14-10-5-4-8-2-1-3-9(17)12(8)16(10)11/h1-5,17H,6-7,13H2.
What are the key properties of 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol?
1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol has a molecular weight of 228.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]quinolin-9-ol is sourced from PubChem (CID 115036643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).