2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile

C11H12F3N3O2 — CID 130474384

IUPAC2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile
SMILESCOc1nc(C(C)C)c(OCC#N)nc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-6(2)7-9(19-5-4-15)17-8(11(12,13)14)10(16-7)18-3/h6H,5H2,1-3H3
InChIKeyRBYQWRMAMXWVFK-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.53
Rot. Bonds4

About 2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile

2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile (PubChem CID 130474384) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile.

Molecular Properties

Compound Name2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile
PubChem CID130474384
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile
SMILESCOc1nc(C(C)C)c(OCC#N)nc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-6(2)7-9(19-5-4-15)17-8(11(12,13)14)10(16-7)18-3/h6H,5H2,1-3H3
InChIKeyRBYQWRMAMXWVFK-UHFFFAOYSA-N
XLogP2.53
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile?
The IUPAC name of 2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile (CID 130474384) is 2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile.
What is the SMILES notation for 2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile?
The canonical SMILES for 2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile is COc1nc(C(C)C)c(OCC#N)nc1C(F)(F)F.
What is the InChIKey of 2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile?
The InChIKey is RBYQWRMAMXWVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-6(2)7-9(19-5-4-15)17-8(11(12,13)14)10(16-7)18-3/h6H,5H2,1-3H3.
What are the key properties of 2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile?
2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile has a molecular weight of 275.23 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxyacetonitrile is sourced from PubChem (CID 130474384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).