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

C9H6N6O2 — CID 686467

IUPAC4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C9H6N6O2/c10-7-6(13-17-14-7)8-12-9(16-15-8)5-2-1-3-11-4-5/h1-4H,(H2,10,14)
InChIKeyOCKFLZPKSIDPKA-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.76
Rot. Bonds2

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

4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 686467) has the molecular formula C9H6N6O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID686467
Molecular FormulaC9H6N6O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C9H6N6O2/c10-7-6(13-17-14-7)8-12-9(16-15-8)5-2-1-3-11-4-5/h1-4H,(H2,10,14)
InChIKeyOCKFLZPKSIDPKA-UHFFFAOYSA-N
XLogP0.76
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 686467) is 4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1noc(-c2cccnc2)n1.
What is the InChIKey of 4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is OCKFLZPKSIDPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O2/c10-7-6(13-17-14-7)8-12-9(16-15-8)5-2-1-3-11-4-5/h1-4H,(H2,10,14).
What are the key properties of 4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 230.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 686467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).