1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

C17H16N8O2 — CID 68839697

IUPAC1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nnc(C)o3)n2n1
InChIInChI=1S/C17H16N8O2/c1-3-19-17(26)21-16-20-14-8-12(11-5-4-6-18-9-11)7-13(25(14)24-16)15-23-22-10(2)27-15/h4-9H,3H2,1-2H3,(H2,19,21,24,26)
InChIKeyDEXKNHXCZULYFX-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.29
Rot. Bonds4

About 1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (PubChem CID 68839697) has the molecular formula C17H16N8O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
PubChem CID68839697
Molecular FormulaC17H16N8O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nnc(C)o3)n2n1
InChIInChI=1S/C17H16N8O2/c1-3-19-17(26)21-16-20-14-8-12(11-5-4-6-18-9-11)7-13(25(14)24-16)15-23-22-10(2)27-15/h4-9H,3H2,1-2H3,(H2,19,21,24,26)
InChIKeyDEXKNHXCZULYFX-UHFFFAOYSA-N
XLogP2.29
TPSA123.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (CID 68839697) is 1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nnc(C)o3)n2n1.
What is the InChIKey of 1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The InChIKey is DEXKNHXCZULYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O2/c1-3-19-17(26)21-16-20-14-8-12(11-5-4-6-18-9-11)7-13(25(14)24-16)15-23-22-10(2)27-15/h4-9H,3H2,1-2H3,(H2,19,21,24,26).
What are the key properties of 1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea has a molecular weight of 364.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is sourced from PubChem (CID 68839697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).