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

C13H16N6O — CID 75504678

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCCc1nc(CNC(C)c2nnc3ccccn23)no1
InChIInChI=1S/C13H16N6O/c1-3-12-15-10(18-20-12)8-14-9(2)13-17-16-11-6-4-5-7-19(11)13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyMMNACYUWYGOEGZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.53
Rot. Bonds5

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 75504678) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID75504678
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCCc1nc(CNC(C)c2nnc3ccccn23)no1
InChIInChI=1S/C13H16N6O/c1-3-12-15-10(18-20-12)8-14-9(2)13-17-16-11-6-4-5-7-19(11)13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyMMNACYUWYGOEGZ-UHFFFAOYSA-N
XLogP1.53
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 75504678) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is CCc1nc(CNC(C)c2nnc3ccccn23)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is MMNACYUWYGOEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-3-12-15-10(18-20-12)8-14-9(2)13-17-16-11-6-4-5-7-19(11)13/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 272.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 75504678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).