3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile

C13H20N4O — CID 115505505

IUPAC3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
SMILESCC(C)N(CCOc1nccnc1C#N)C(C)C
InChIInChI=1S/C13H20N4O/c1-10(2)17(11(3)4)7-8-18-13-12(9-14)15-5-6-16-13/h5-6,10-11H,7-8H2,1-4H3
InChIKeyLRCAGWMNFIPATI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.85
Rot. Bonds6

About 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile

3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile (PubChem CID 115505505) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
PubChem CID115505505
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
SMILESCC(C)N(CCOc1nccnc1C#N)C(C)C
InChIInChI=1S/C13H20N4O/c1-10(2)17(11(3)4)7-8-18-13-12(9-14)15-5-6-16-13/h5-6,10-11H,7-8H2,1-4H3
InChIKeyLRCAGWMNFIPATI-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

3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 107059128
3-[2-[cyclopropyl(methyl)amino]ethoxy]pyrazine-2-carbonitrile
CID 102740080
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazine-2-carbonitrile
CID 112587614
3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide
CID 115505522
2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 115505507
5-amino-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carbonitrile
CID 103469781
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 115505515
5-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile
CID 115505498
4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 115505514
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505728
4-[2-[di(propan-2-yl)amino]ethoxy]-6-ethoxypyrimidin-5-amine
CID 115505378
N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 103583744

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile (CID 115505505) is 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile is CC(C)N(CCOc1nccnc1C#N)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile?
The InChIKey is LRCAGWMNFIPATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(2)17(11(3)4)7-8-18-13-12(9-14)15-5-6-16-13/h5-6,10-11H,7-8H2,1-4H3.
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile?
3-[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 3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbonitrile is sourced from PubChem (CID 115505505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).