5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile

C13H20N4O — CID 115505498

IUPAC5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
SMILESCC(C)N(CCOc1cnc(C#N)cn1)C(C)C
InChIInChI=1S/C13H20N4O/c1-10(2)17(11(3)4)5-6-18-13-9-15-12(7-14)8-16-13/h8-11H,5-6H2,1-4H3
InChIKeyFVCHZLDOPLIJBB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.85
Rot. Bonds6

About 5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile

5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile (PubChem CID 115505498) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
PubChem CID115505498
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
SMILESCC(C)N(CCOc1cnc(C#N)cn1)C(C)C
InChIInChI=1S/C13H20N4O/c1-10(2)17(11(3)4)5-6-18-13-9-15-12(7-14)8-16-13/h8-11H,5-6H2,1-4H3
InChIKeyFVCHZLDOPLIJBB-UHFFFAOYSA-N
XLogP1.85
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Ethoxy-3-methylpyrazine
CID 122941
2-Methyl-6-ethoxypyrazine
CID 104421
2-Methyl-6-propoxypyrazine
CID 100240
2-Methyl-5-ethoxypyrazine
CID 105758
5-Methoxypyrazine-2-carbonitrile
CID 53438993
6-Methoxypyrazine-2-carbonitrile
CID 23273412
3-Ethoxypyrazine-2-carbonitrile
CID 12639559
5-(3-Methoxypropoxy)pyrazine-2-carbonitrile
CID 64272769
2-Methyl-5-(2,2,2-trifluoroethoxy)pyrazine
CID 68236301
2-(4-Fluorobut-2-ynoxy)-5-methylpyrazine
CID 70235062
5-(2,2-Difluoroethoxy)pyrazine-2-carbonitrile
CID 75525853
2-(2-Fluoroethoxy)-5-methylpyrazine
CID 88224400

Frequently Asked Questions

What is the IUPAC name of 5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile (CID 115505498) is 5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile is CC(C)N(CCOc1cnc(C#N)cn1)C(C)C.
What is the InChIKey of 5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile?
The InChIKey is FVCHZLDOPLIJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(2)17(11(3)4)5-6-18-13-9-15-12(7-14)8-16-13/h8-11H,5-6H2,1-4H3.
What are the key properties of 5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile?
5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile is sourced from PubChem (CID 115505498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).