5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile

C10H13N3O2 — CID 103488112

IUPAC5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile
SMILESCCOCC(C)Oc1cnc(C#N)cn1
InChIInChI=1S/C10H13N3O2/c1-3-14-7-8(2)15-10-6-12-9(4-11)5-13-10/h5-6,8H,3,7H2,1-2H3
InChIKeyQVSKRNRALAPDPZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.15
Rot. Bonds5

About 5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile

5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile (PubChem CID 103488112) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile
PubChem CID103488112
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile
SMILESCCOCC(C)Oc1cnc(C#N)cn1
InChIInChI=1S/C10H13N3O2/c1-3-14-7-8(2)15-10-6-12-9(4-11)5-13-10/h5-6,8H,3,7H2,1-2H3
InChIKeyQVSKRNRALAPDPZ-UHFFFAOYSA-N
XLogP1.15
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile?
The IUPAC name of 5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile (CID 103488112) is 5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile is CCOCC(C)Oc1cnc(C#N)cn1.
What is the InChIKey of 5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile?
The InChIKey is QVSKRNRALAPDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-14-7-8(2)15-10-6-12-9(4-11)5-13-10/h5-6,8H,3,7H2,1-2H3.
What are the key properties of 5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile?
5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 103488112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).