8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C16H15N5S — CID 67257821

IUPAC8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2nc(CCc3ncc(-c4cccs4)[nH]3)nc12
InChIInChI=1S/C16H15N5S/c1-11-4-2-8-21-16(11)19-15(20-21)7-6-14-17-10-12(18-14)13-5-3-9-22-13/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyNXNTXJZKXUSAPK-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.27
Rot. Bonds4

About 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 67257821) has the molecular formula C16H15N5S and a molecular weight of 309.40 g/mol. Its IUPAC name is 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID67257821
Molecular FormulaC16H15N5S
Molecular Weight309.40 g/mol
Exact Mass309.10
IUPAC Name8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2nc(CCc3ncc(-c4cccs4)[nH]3)nc12
InChIInChI=1S/C16H15N5S/c1-11-4-2-8-21-16(11)19-15(20-21)7-6-14-17-10-12(18-14)13-5-3-9-22-13/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyNXNTXJZKXUSAPK-UHFFFAOYSA-N
XLogP3.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 67257821) is 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccn2nc(CCc3ncc(-c4cccs4)[nH]3)nc12.
What is the InChIKey of 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NXNTXJZKXUSAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S/c1-11-4-2-8-21-16(11)19-15(20-21)7-6-14-17-10-12(18-14)13-5-3-9-22-13/h2-5,8-10H,6-7H2,1H3,(H,17,18).
What are the key properties of 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 309.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 67257821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).