5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile

C15H20N4O — CID 133484797

IUPAC5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile
SMILESCCOC1CC(Nc2cnc(C#N)cn2)C12CCCC2
InChIInChI=1S/C15H20N4O/c1-2-20-13-7-12(15(13)5-3-4-6-15)19-14-10-17-11(8-16)9-18-14/h9-10,12-13H,2-7H2,1H3,(H,18,19)
InChIKeyNGGUMXCHVYLWQZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds4

About 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile

5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile (PubChem CID 133484797) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile
PubChem CID133484797
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile
SMILESCCOC1CC(Nc2cnc(C#N)cn2)C12CCCC2
InChIInChI=1S/C15H20N4O/c1-2-20-13-7-12(15(13)5-3-4-6-15)19-14-10-17-11(8-16)9-18-14/h9-10,12-13H,2-7H2,1H3,(H,18,19)
InChIKeyNGGUMXCHVYLWQZ-UHFFFAOYSA-N
XLogP2.50
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile (CID 133484797) is 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile is CCOC1CC(Nc2cnc(C#N)cn2)C12CCCC2.
What is the InChIKey of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is NGGUMXCHVYLWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-20-13-7-12(15(13)5-3-4-6-15)19-14-10-17-11(8-16)9-18-14/h9-10,12-13H,2-7H2,1H3,(H,18,19).
What are the key properties of 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile?
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).