2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C11H9N5O — CID 136984510

IUPAC2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESNc1cccnc1-c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C11H9N5O/c12-7-3-1-6-14-9(7)11-15-10(16-17-11)8-4-2-5-13-8/h1-6,13H,12H2
InChIKeyPJTZAWSPOFLPDQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.71
Rot. Bonds2

About 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 136984510) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID136984510
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESNc1cccnc1-c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C11H9N5O/c12-7-3-1-6-14-9(7)11-15-10(16-17-11)8-4-2-5-13-8/h1-6,13H,12H2
InChIKeyPJTZAWSPOFLPDQ-UHFFFAOYSA-N
XLogP1.71
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 136984510) is 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Nc1cccnc1-c1nc(-c2ccc[nH]2)no1.
What is the InChIKey of 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is PJTZAWSPOFLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-7-3-1-6-14-9(7)11-15-10(16-17-11)8-4-2-5-13-8/h1-6,13H,12H2.
What are the key properties of 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 227.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 136984510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).