5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile

C11H16N4O — CID 114942435

IUPAC5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
SMILESCCOC(C)(C)CNc1cnc(C#N)cn1
InChIInChI=1S/C11H16N4O/c1-4-16-11(2,3)8-15-10-7-13-9(5-12)6-14-10/h6-7H,4,8H2,1-3H3,(H,14,15)
InChIKeyCQUAFIBATFHCBX-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.58
Rot. Bonds5

About 5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile

5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile (PubChem CID 114942435) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
PubChem CID114942435
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
SMILESCCOC(C)(C)CNc1cnc(C#N)cn1
InChIInChI=1S/C11H16N4O/c1-4-16-11(2,3)8-15-10-7-13-9(5-12)6-14-10/h6-7H,4,8H2,1-3H3,(H,14,15)
InChIKeyCQUAFIBATFHCBX-UHFFFAOYSA-N
XLogP1.58
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-2-methylpropyl)pyrazin-2-amine
CID 114942789
5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
CID 104917836
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile
CID 133484221
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
6-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 167788703
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452
5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyrazine-2-carbonitrile
CID 107865811
2-[[(5-cyanopyrazin-2-yl)amino]methyl]butanoic acid
CID 65226638
5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 102562655

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile (CID 114942435) is 5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile is CCOC(C)(C)CNc1cnc(C#N)cn1.
What is the InChIKey of 5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile?
The InChIKey is CQUAFIBATFHCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-16-11(2,3)8-15-10-7-13-9(5-12)6-14-10/h6-7H,4,8H2,1-3H3,(H,14,15).
What are the key properties of 5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile?
5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 114942435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).