3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile

C11H15N3O2 — CID 112587614

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile
SMILESCC(C)(C)OCCOc1nccnc1C#N
InChIInChI=1S/C11H15N3O2/c1-11(2,3)16-7-6-15-10-9(8-12)13-4-5-14-10/h4-5H,6-7H2,1-3H3
InChIKeyOFWPGXGOGMJXIC-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.54
Rot. Bonds4

About 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile

3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile (PubChem CID 112587614) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile
PubChem CID112587614
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile
SMILESCC(C)(C)OCCOc1nccnc1C#N
InChIInChI=1S/C11H15N3O2/c1-11(2,3)16-7-6-15-10-9(8-12)13-4-5-14-10/h4-5H,6-7H2,1-3H3
InChIKeyOFWPGXGOGMJXIC-UHFFFAOYSA-N
XLogP1.54
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxy-3-methylpyrazine
CID 122941
2-Isopropoxy-3-methylpyrazine
CID 3086387
3-[3-(Tert-butylamino)-2-hydroxypropoxy]pyrazine-2-carbonitrile
CID 12583772
3-Ethoxypyrazine-2-carbonitrile
CID 12639559
3-Methoxy-2-pyrazinecarbonitrile
CID 821144
5-(3-Methoxypropoxy)pyrazine-2-carbonitrile
CID 64272769
2-Methyl-3-(2-methylpropoxy)pyrazine
CID 109684
3-(Allyloxy)-6-fluoro-2-pyrazinecarbonitrile
CID 22662832
3-Butoxy-5-fluoro-2-methylpyrazine
CID 118005450
5-[2-(Difluoromethoxy)ethoxy]pyrazine-2-carbonitrile
CID 118625779
5-(3,3-Difluorocyclobutyl)oxy-3-methoxypyrazine-2-carbonitrile
CID 126721630
6-Fluoro-3-hexoxypyrazine-2-carbonitrile
CID 141309569

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile (CID 112587614) is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile is CC(C)(C)OCCOc1nccnc1C#N.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile?
The InChIKey is OFWPGXGOGMJXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2,3)16-7-6-15-10-9(8-12)13-4-5-14-10/h4-5H,6-7H2,1-3H3.
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile?
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile is sourced from PubChem (CID 112587614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).