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

C13H18N6O — CID 71855432

IUPAC3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine
SMILESCCc1nc2n(n1)CCCC2Nc1nc(C2CC2)no1
InChIInChI=1S/C13H18N6O/c1-2-10-15-12-9(4-3-7-19(12)17-10)14-13-16-11(18-20-13)8-5-6-8/h8-9H,2-7H2,1H3,(H,14,16,18)
InChIKeyCFDRPYZPAYICLZ-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.05
Rot. Bonds4

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

3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 71855432) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine
PubChem CID71855432
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine
SMILESCCc1nc2n(n1)CCCC2Nc1nc(C2CC2)no1
InChIInChI=1S/C13H18N6O/c1-2-10-15-12-9(4-3-7-19(12)17-10)14-13-16-11(18-20-13)8-5-6-8/h8-9H,2-7H2,1H3,(H,14,16,18)
InChIKeyCFDRPYZPAYICLZ-UHFFFAOYSA-N
XLogP2.05
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine (CID 71855432) is 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine is CCc1nc2n(n1)CCCC2Nc1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is CFDRPYZPAYICLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-10-15-12-9(4-3-7-19(12)17-10)14-13-16-11(18-20-13)8-5-6-8/h8-9H,2-7H2,1H3,(H,14,16,18).
What are the key properties of 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine?
3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 274.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71855432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).