ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile

C13H21N3O2 — CID 145374351

IUPACethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile
SMILESCC.COc1nc(C(C)C)c(OCC#N)nc1C
InChIInChI=1S/C11H15N3O2.C2H6/c1-7(2)9-11(16-6-5-12)13-8(3)10(14-9)15-4;1-2/h7H,6H2,1-4H3;1-2H3
InChIKeyWZNQGLWMSIWFMO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.85
Rot. Bonds4

About ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile

ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile (PubChem CID 145374351) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile.

Molecular Properties

Compound Nameethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile
PubChem CID145374351
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile
SMILESCC.COc1nc(C(C)C)c(OCC#N)nc1C
InChIInChI=1S/C11H15N3O2.C2H6/c1-7(2)9-11(16-6-5-12)13-8(3)10(14-9)15-4;1-2/h7H,6H2,1-4H3;1-2H3
InChIKeyWZNQGLWMSIWFMO-UHFFFAOYSA-N
XLogP2.85
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile?
The IUPAC name of ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile (CID 145374351) is ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile.
What is the SMILES notation for ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile?
The canonical SMILES for ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile is CC.COc1nc(C(C)C)c(OCC#N)nc1C.
What is the InChIKey of ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile?
The InChIKey is WZNQGLWMSIWFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.C2H6/c1-7(2)9-11(16-6-5-12)13-8(3)10(14-9)15-4;1-2/h7H,6H2,1-4H3;1-2H3.
What are the key properties of ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile?
ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile has a molecular weight of 251.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxyacetonitrile is sourced from PubChem (CID 145374351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).