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

C10H8N6O — CID 136984377

IUPAC3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESNc1nccnc1-c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C10H8N6O/c11-8-7(13-4-5-14-8)10-15-9(16-17-10)6-2-1-3-12-6/h1-5,12H,(H2,11,14)
InChIKeyXYSFSJVMHYNYRT-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.10
Rot. Bonds2

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

3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (PubChem CID 136984377) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
PubChem CID136984377
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
SMILESNc1nccnc1-c1nc(-c2ccc[nH]2)no1
InChIInChI=1S/C10H8N6O/c11-8-7(13-4-5-14-8)10-15-9(16-17-10)6-2-1-3-12-6/h1-5,12H,(H2,11,14)
InChIKeyXYSFSJVMHYNYRT-UHFFFAOYSA-N
XLogP1.10
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The IUPAC name of 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine (CID 136984377) is 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The canonical SMILES for 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is Nc1nccnc1-c1nc(-c2ccc[nH]2)no1.
What is the InChIKey of 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
The InChIKey is XYSFSJVMHYNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c11-8-7(13-4-5-14-8)10-15-9(16-17-10)6-2-1-3-12-6/h1-5,12H,(H2,11,14).
What are the key properties of 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine?
3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine has a molecular weight of 228.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 136984377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).