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

C12H12N4 — CID 82167050

IUPAC2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
SMILESNCCc1nnc2ccc3ccccc3n12
InChIInChI=1S/C12H12N4/c13-8-7-12-15-14-11-6-5-9-3-1-2-4-10(9)16(11)12/h1-6H,7-8,13H2
InChIKeyLJQUFARUNSBWCZ-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.38
Rot. Bonds2

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

2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine (PubChem CID 82167050) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
PubChem CID82167050
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
SMILESNCCc1nnc2ccc3ccccc3n12
InChIInChI=1S/C12H12N4/c13-8-7-12-15-14-11-6-5-9-3-1-2-4-10(9)16(11)12/h1-6H,7-8,13H2
InChIKeyLJQUFARUNSBWCZ-UHFFFAOYSA-N
XLogP1.38
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.38
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
2-(9-fluoro-[1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 115037655
3-(9-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-amine
CID 115043771
2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine
CID 82167476
1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028680
(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)methanamine
CID 115027905
1-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-a]quinoline
CID 6383807
4-chloro-3-([1,2,4]triazolo[4,3-a]quinolin-1-yl)aniline
CID 82167064
3-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 105447953
3-(7-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)propan-1-ol
CID 115044199
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol
CID 117253162

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine (CID 82167050) is 2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine is NCCc1nnc2ccc3ccccc3n12.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine?
The InChIKey is LJQUFARUNSBWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-8-7-12-15-14-11-6-5-9-3-1-2-4-10(9)16(11)12/h1-6H,7-8,13H2.
What are the key properties of 2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine?
2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine has a molecular weight of 212.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine is sourced from PubChem (CID 82167050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).