3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

C15H13N5S — CID 3283367

IUPAC3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccc2nc(CSc3nnc4ccccn34)cn12
InChIInChI=1S/C15H13N5S/c1-11-5-4-7-13-16-12(9-20(11)13)10-21-15-18-17-14-6-2-3-8-19(14)15/h2-9H,10H2,1H3
InChIKeyNTPWIFNKPQYDIK-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.98
Rot. Bonds3

About 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 3283367) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID3283367
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccc2nc(CSc3nnc4ccccn34)cn12
InChIInChI=1S/C15H13N5S/c1-11-5-4-7-13-16-12(9-20(11)13)10-21-15-18-17-14-6-2-3-8-19(14)15/h2-9H,10H2,1H3
InChIKeyNTPWIFNKPQYDIK-UHFFFAOYSA-N
XLogP2.98
TPSA47.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 3283367) is 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccc2nc(CSc3nnc4ccccn34)cn12.
What is the InChIKey of 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NTPWIFNKPQYDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-11-5-4-7-13-16-12(9-20(11)13)10-21-15-18-17-14-6-2-3-8-19(14)15/h2-9H,10H2,1H3.
What are the key properties of 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 295.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 3283367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).