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

C12H16N4O — CID 55227807

IUPAC3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile
SMILESCN(CC1CCOCC1)c1nccnc1C#N
InChIInChI=1S/C12H16N4O/c1-16(9-10-2-6-17-7-3-10)12-11(8-13)14-4-5-15-12/h4-5,10H,2-3,6-7,9H2,1H3
InChIKeyZJBPTRDHXHRENY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.21
Rot. Bonds3

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

3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile (PubChem CID 55227807) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile
PubChem CID55227807
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile
SMILESCN(CC1CCOCC1)c1nccnc1C#N
InChIInChI=1S/C12H16N4O/c1-16(9-10-2-6-17-7-3-10)12-11(8-13)14-4-5-15-12/h4-5,10H,2-3,6-7,9H2,1H3
InChIKeyZJBPTRDHXHRENY-UHFFFAOYSA-N
XLogP1.21
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile (CID 55227807) is 3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile is CN(CC1CCOCC1)c1nccnc1C#N.
What is the InChIKey of 3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile?
The InChIKey is ZJBPTRDHXHRENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(9-10-2-6-17-7-3-10)12-11(8-13)14-4-5-15-12/h4-5,10H,2-3,6-7,9H2,1H3.
What are the key properties of 3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile?
3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 55227807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).