2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole

C9H10N4O — CID 53017496

IUPAC2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C9H10N4O/c1-6(2)8-12-13-9(14-8)7-5-10-3-4-11-7/h3-6H,1-2H3
InChIKeyGVSLDBWSCGAAJS-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.65
Rot. Bonds2

About 2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole

2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 53017496) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID53017496
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C9H10N4O/c1-6(2)8-12-13-9(14-8)7-5-10-3-4-11-7/h3-6H,1-2H3
InChIKeyGVSLDBWSCGAAJS-UHFFFAOYSA-N
XLogP1.65
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 53017496) is 2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2cnccn2)o1.
What is the InChIKey of 2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is GVSLDBWSCGAAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6(2)8-12-13-9(14-8)7-5-10-3-4-11-7/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 190.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 53017496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).