2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine

C13H16N6OS — CID 63805231

IUPAC2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
SMILESCOCCNCc1c(Sc2ncn[nH]2)nc2ccccn12
InChIInChI=1S/C13H16N6OS/c1-20-7-5-14-8-10-12(21-13-15-9-16-18-13)17-11-4-2-3-6-19(10)11/h2-4,6,9,14H,5,7-8H2,1H3,(H,15,16,18)
InChIKeyIQOSTGAFVANPRG-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.34
Rot. Bonds7

About 2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine

2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine (PubChem CID 63805231) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
PubChem CID63805231
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
SMILESCOCCNCc1c(Sc2ncn[nH]2)nc2ccccn12
InChIInChI=1S/C13H16N6OS/c1-20-7-5-14-8-10-12(21-13-15-9-16-18-13)17-11-4-2-3-6-19(10)11/h2-4,6,9,14H,5,7-8H2,1H3,(H,15,16,18)
InChIKeyIQOSTGAFVANPRG-UHFFFAOYSA-N
XLogP1.34
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylpropane-1,2-diol
CID 79671023
3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol
CID 66136871
N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 63805663
2-methoxy-N-[(2-thiomorpholin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 63059993
N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine
CID 63070945
3-(2-methoxyethoxy)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 43770876
N-(3-methoxypropyl)-N-methyl-3-(propylaminomethyl)imidazo[1,2-a]pyridin-2-amine
CID 63010016
N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 63806480
N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 55239075
N-methyl-1-(2-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 63814200
2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
CID 103293868
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methoxyethanamine
CID 115883524

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine (CID 63805231) is 2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine is COCCNCc1c(Sc2ncn[nH]2)nc2ccccn12.
What is the InChIKey of 2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The InChIKey is IQOSTGAFVANPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-20-7-5-14-8-10-12(21-13-15-9-16-18-13)17-11-4-2-3-6-19(10)11/h2-4,6,9,14H,5,7-8H2,1H3,(H,15,16,18).
What are the key properties of 2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine has a molecular weight of 304.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63805231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).