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

C13H16N6O — CID 133334643

IUPAC3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(NC(C)c2nnc3ccccn23)n1
InChIInChI=1S/C13H16N6O/c1-8(2)11-15-13(20-18-11)14-9(3)12-17-16-10-6-4-5-7-19(10)12/h4-9H,1-3H3,(H,14,15,18)
InChIKeyNRTFGQYHUGOSDI-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.41
Rot. Bonds4

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

3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 133334643) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID133334643
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(NC(C)c2nnc3ccccn23)n1
InChIInChI=1S/C13H16N6O/c1-8(2)11-15-13(20-18-11)14-9(3)12-17-16-10-6-4-5-7-19(10)12/h4-9H,1-3H3,(H,14,15,18)
InChIKeyNRTFGQYHUGOSDI-UHFFFAOYSA-N
XLogP2.41
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 75504678
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133334637
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945
1-pyridin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43685630
(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 51885542
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 24508306
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
N-[(5-ethylfuran-2-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 62345446
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 133334643) is 3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine is CC(C)c1noc(NC(C)c2nnc3ccccn23)n1.
What is the InChIKey of 3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is NRTFGQYHUGOSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-8(2)11-15-13(20-18-11)14-9(3)12-17-16-10-6-4-5-7-19(10)12/h4-9H,1-3H3,(H,14,15,18).
What are the key properties of 3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 272.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133334643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).