3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole

C6H3ClN4O — CID 122240434

IUPAC3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole
SMILESClc1nccnc1-c1ncon1
InChIInChI=1S/C6H3ClN4O/c7-5-4(8-1-2-9-5)6-10-3-12-11-6/h1-3H
InChIKeyCUKDWVMVUSOWSF-UHFFFAOYSA-N
MW182.57 g/mol
LogP1.18
Rot. Bonds1

About 3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole

3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole (PubChem CID 122240434) has the molecular formula C6H3ClN4O and a molecular weight of 182.57 g/mol. Its IUPAC name is 3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole
PubChem CID122240434
Molecular FormulaC6H3ClN4O
Molecular Weight182.57 g/mol
Exact Mass182.00
IUPAC Name3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole
SMILESClc1nccnc1-c1ncon1
InChIInChI=1S/C6H3ClN4O/c7-5-4(8-1-2-9-5)6-10-3-12-11-6/h1-3H
InChIKeyCUKDWVMVUSOWSF-UHFFFAOYSA-N
XLogP1.18
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.57
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole (CID 122240434) is 3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole is Clc1nccnc1-c1ncon1.
What is the InChIKey of 3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is CUKDWVMVUSOWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4O/c7-5-4(8-1-2-9-5)6-10-3-12-11-6/h1-3H.
What are the key properties of 3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole?
3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 182.57 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropyrazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 122240434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).