5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C11H16N6O — CID 72877446

IUPAC5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NCc2nnc3n2CCCC3)o1
InChIInChI=1S/C11H16N6O/c1-2-10-15-16-11(18-10)12-7-9-14-13-8-5-3-4-6-17(8)9/h2-7H2,1H3,(H,12,16)
InChIKeyFJKXPOOHKSEKSA-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.17
Rot. Bonds4

About 5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 72877446) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID72877446
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NCc2nnc3n2CCCC3)o1
InChIInChI=1S/C11H16N6O/c1-2-10-15-16-11(18-10)12-7-9-14-13-8-5-3-4-6-17(8)9/h2-7H2,1H3,(H,12,16)
InChIKeyFJKXPOOHKSEKSA-UHFFFAOYSA-N
XLogP1.17
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 72877446) is 5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is CCc1nnc(NCc2nnc3n2CCCC3)o1.
What is the InChIKey of 5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FJKXPOOHKSEKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-10-15-16-11(18-10)12-7-9-14-13-8-5-3-4-6-17(8)9/h2-7H2,1H3,(H,12,16).
What are the key properties of 5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 248.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72877446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).