8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H12N6O — CID 114184520

IUPAC8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccn2nc(NCCc3ncon3)nc12
InChIInChI=1S/C11H12N6O/c1-8-3-2-6-17-10(8)14-11(15-17)12-5-4-9-13-7-18-16-9/h2-3,6-7H,4-5H2,1H3,(H,12,15)
InChIKeyYBPSKHRUBVZOBH-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.08
Rot. Bonds4

About 8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 114184520) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID114184520
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccn2nc(NCCc3ncon3)nc12
InChIInChI=1S/C11H12N6O/c1-8-3-2-6-17-10(8)14-11(15-17)12-5-4-9-13-7-18-16-9/h2-3,6-7H,4-5H2,1H3,(H,12,15)
InChIKeyYBPSKHRUBVZOBH-UHFFFAOYSA-N
XLogP1.08
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 114184520) is 8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cccn2nc(NCCc3ncon3)nc12.
What is the InChIKey of 8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YBPSKHRUBVZOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-8-3-2-6-17-10(8)14-11(15-17)12-5-4-9-13-7-18-16-9/h2-3,6-7H,4-5H2,1H3,(H,12,15).
What are the key properties of 8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 244.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 114184520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).