5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine

C12H9ClN6O — CID 122194081

IUPAC5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine
SMILESNc1ncc(Cl)nc1-c1nc(Nc2ccccc2)no1
InChIInChI=1S/C12H9ClN6O/c13-8-6-15-10(14)9(17-8)11-18-12(19-20-11)16-7-4-2-1-3-5-7/h1-6H,(H2,14,15)(H,16,19)
InChIKeyXFRVOIWSYIAOGG-UHFFFAOYSA-N
MW288.70 g/mol
LogP2.51
Rot. Bonds3

About 5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine

5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 122194081) has the molecular formula C12H9ClN6O and a molecular weight of 288.70 g/mol. Its IUPAC name is 5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID122194081
Molecular FormulaC12H9ClN6O
Molecular Weight288.70 g/mol
Exact Mass288.05
IUPAC Name5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine
SMILESNc1ncc(Cl)nc1-c1nc(Nc2ccccc2)no1
InChIInChI=1S/C12H9ClN6O/c13-8-6-15-10(14)9(17-8)11-18-12(19-20-11)16-7-4-2-1-3-5-7/h1-6H,(H2,14,15)(H,16,19)
InChIKeyXFRVOIWSYIAOGG-UHFFFAOYSA-N
XLogP2.51
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine (CID 122194081) is 5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine is Nc1ncc(Cl)nc1-c1nc(Nc2ccccc2)no1.
What is the InChIKey of 5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is XFRVOIWSYIAOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6O/c13-8-6-15-10(14)9(17-8)11-18-12(19-20-11)16-7-4-2-1-3-5-7/h1-6H,(H2,14,15)(H,16,19).
What are the key properties of 5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 288.70 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-6-chloropyrazin-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 122194081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).