3-pyridin-2-yl-1,2,4-oxadiazol-5-amine

C7H6N4O — CID 11457859

IUPAC3-pyridin-2-yl-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2ccccn2)no1
InChIInChI=1S/C7H6N4O/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H,(H2,8,10,11)
InChIKeySUMFUTVGQFEHRJ-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.71
Rot. Bonds1

About 3-pyridin-2-yl-1,2,4-oxadiazol-5-amine

3-pyridin-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 11457859) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-pyridin-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-pyridin-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID11457859
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name3-pyridin-2-yl-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2ccccn2)no1
InChIInChI=1S/C7H6N4O/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H,(H2,8,10,11)
InChIKeySUMFUTVGQFEHRJ-UHFFFAOYSA-N
XLogP0.71
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-pyridin-2-yl-1,2,4-oxadiazol-5-amine (CID 11457859) is 3-pyridin-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-pyridin-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-pyridin-2-yl-1,2,4-oxadiazol-5-amine is Nc1nc(-c2ccccn2)no1.
What is the InChIKey of 3-pyridin-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is SUMFUTVGQFEHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H,(H2,8,10,11).
What are the key properties of 3-pyridin-2-yl-1,2,4-oxadiazol-5-amine?
3-pyridin-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 162.15 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 11457859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).