3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile

C11H14N4O — CID 62684524

IUPAC3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile
SMILESCN(c1nccnc1C#N)C1CCOCC1
InChIInChI=1S/C11H14N4O/c1-15(9-2-6-16-7-3-9)11-10(8-12)13-4-5-14-11/h4-5,9H,2-3,6-7H2,1H3
InChIKeyISYPTFGDXWLASA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.96
Rot. Bonds2

About 3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile

3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile (PubChem CID 62684524) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile
PubChem CID62684524
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile
SMILESCN(c1nccnc1C#N)C1CCOCC1
InChIInChI=1S/C11H14N4O/c1-15(9-2-6-16-7-3-9)11-10(8-12)13-4-5-14-11/h4-5,9H,2-3,6-7H2,1H3
InChIKeyISYPTFGDXWLASA-UHFFFAOYSA-N
XLogP0.96
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile (CID 62684524) is 3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile is CN(c1nccnc1C#N)C1CCOCC1.
What is the InChIKey of 3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is ISYPTFGDXWLASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(9-2-6-16-7-3-9)11-10(8-12)13-4-5-14-11/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile?
3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62684524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).