3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole

C8H8N4O — CID 52903741

IUPAC3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc(C)no2)cn1
InChIInChI=1S/C8H8N4O/c1-5-3-10-7(4-9-5)8-11-6(2)12-13-8/h3-4H,1-2H3
InChIKeyZZFWXESQCIDPCQ-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.14
Rot. Bonds1

About 3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole

3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole (PubChem CID 52903741) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
PubChem CID52903741
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc(C)no2)cn1
InChIInChI=1S/C8H8N4O/c1-5-3-10-7(4-9-5)8-11-6(2)12-13-8/h3-4H,1-2H3
InChIKeyZZFWXESQCIDPCQ-UHFFFAOYSA-N
XLogP1.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole (CID 52903741) is 3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole is Cc1cnc(-c2nc(C)no2)cn1.
What is the InChIKey of 3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is ZZFWXESQCIDPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5-3-10-7(4-9-5)8-11-6(2)12-13-8/h3-4H,1-2H3.
What are the key properties of 3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 176.18 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 52903741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).