N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine

C17H15N5 — CID 166201482

IUPACN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine
SMILESc1ccc2c(NCCc3nnc4ccccn34)ccnc2c1
InChIInChI=1S/C17H15N5/c1-2-6-14-13(5-1)15(8-10-18-14)19-11-9-17-21-20-16-7-3-4-12-22(16)17/h1-8,10,12H,9,11H2,(H,18,19)
InChIKeyUGPKNPHLDLCXOD-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.93
Rot. Bonds4

About N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine (PubChem CID 166201482) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine
PubChem CID166201482
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine
SMILESc1ccc2c(NCCc3nnc4ccccn34)ccnc2c1
InChIInChI=1S/C17H15N5/c1-2-6-14-13(5-1)15(8-10-18-14)19-11-9-17-21-20-16-7-3-4-12-22(16)17/h1-8,10,12H,9,11H2,(H,18,19)
InChIKeyUGPKNPHLDLCXOD-UHFFFAOYSA-N
XLogP2.93
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)ethyl]quinolin-4-amine
CID 61341916
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 18277477
N-(2-pyridin-3-ylethyl)quinolin-4-amine
CID 61339909
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
N-ethylquinolin-4-amine
CID 15306588
1-naphthalen-1-yl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 18144687
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 43203669
2-(quinolin-4-ylamino)acetamide
CID 61340443
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662

Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine?
The IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine (CID 166201482) is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine?
The canonical SMILES for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine is c1ccc2c(NCCc3nnc4ccccn34)ccnc2c1.
What is the InChIKey of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine?
The InChIKey is UGPKNPHLDLCXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-6-14-13(5-1)15(8-10-18-14)19-11-9-17-21-20-16-7-3-4-12-22(16)17/h1-8,10,12H,9,11H2,(H,18,19).
What are the key properties of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine?
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 166201482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).