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

C10H8N4O — CID 59260120

IUPAC3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole
SMILESCC#Cc1nc(-c2cnc(C)cn2)no1
InChIInChI=1S/C10H8N4O/c1-3-4-9-13-10(14-15-9)8-6-11-7(2)5-12-8/h5-6H,1-2H3
InChIKeyVWMNJAPKJNYWRC-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.21
Rot. Bonds1

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

3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole (PubChem CID 59260120) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole
PubChem CID59260120
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole
SMILESCC#Cc1nc(-c2cnc(C)cn2)no1
InChIInChI=1S/C10H8N4O/c1-3-4-9-13-10(14-15-9)8-6-11-7(2)5-12-8/h5-6H,1-2H3
InChIKeyVWMNJAPKJNYWRC-UHFFFAOYSA-N
XLogP1.21
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole (CID 59260120) is 3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole is CC#Cc1nc(-c2cnc(C)cn2)no1.
What is the InChIKey of 3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole?
The InChIKey is VWMNJAPKJNYWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-3-4-9-13-10(14-15-9)8-6-11-7(2)5-12-8/h5-6H,1-2H3.
What are the key properties of 3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole?
3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole has a molecular weight of 200.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazin-2-yl)-5-prop-1-ynyl-1,2,4-oxadiazole is sourced from PubChem (CID 59260120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).