3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile

C13H19N5O — CID 56790165

IUPAC3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile
SMILESCN(C)C1(CNc2nccnc2C#N)CCOCC1
InChIInChI=1S/C13H19N5O/c1-18(2)13(3-7-19-8-4-13)10-17-12-11(9-14)15-5-6-16-12/h5-6H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyMLAKSNGYZXVLBN-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.87
Rot. Bonds4

About 3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile

3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile (PubChem CID 56790165) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile
PubChem CID56790165
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile
SMILESCN(C)C1(CNc2nccnc2C#N)CCOCC1
InChIInChI=1S/C13H19N5O/c1-18(2)13(3-7-19-8-4-13)10-17-12-11(9-14)15-5-6-16-12/h5-6H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyMLAKSNGYZXVLBN-UHFFFAOYSA-N
XLogP0.87
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(dimethylamino)oxan-4-yl]methylamino]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-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile (CID 56790165) is 3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile is CN(C)C1(CNc2nccnc2C#N)CCOCC1.
What is the InChIKey of 3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is MLAKSNGYZXVLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-18(2)13(3-7-19-8-4-13)10-17-12-11(9-14)15-5-6-16-12/h5-6H,3-4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile?
3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)oxan-4-yl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 56790165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).