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

C12H9N5O — CID 104742909

IUPAC2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
SMILESNc1cccnc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C12H9N5O/c13-9-4-2-6-15-10(9)12-16-11(17-18-12)8-3-1-5-14-7-8/h1-7H,13H2
InChIKeyQWMUBXHOWJDPDT-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.78
Rot. Bonds2

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

2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine (PubChem CID 104742909) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
PubChem CID104742909
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
SMILESNc1cccnc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C12H9N5O/c13-9-4-2-6-15-10(9)12-16-11(17-18-12)8-3-1-5-14-7-8/h1-7H,13H2
InChIKeyQWMUBXHOWJDPDT-UHFFFAOYSA-N
XLogP1.78
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63260210
3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921047
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 113447849
2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 114329336
2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 54924255
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 59758751
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742918
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 136984510
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743077
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743010
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103372858

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
The IUPAC name of 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine (CID 104742909) is 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine.
What is the SMILES notation for 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
The canonical SMILES for 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine is Nc1cccnc1-c1nc(-c2cccnc2)no1.
What is the InChIKey of 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
The InChIKey is QWMUBXHOWJDPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c13-9-4-2-6-15-10(9)12-16-11(17-18-12)8-3-1-5-14-7-8/h1-7H,13H2.
What are the key properties of 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine?
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine has a molecular weight of 239.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine is sourced from PubChem (CID 104742909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).