3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile

C12H16N4O2 — CID 114776876

IUPAC3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile
SMILESCC1(C)CN(c2nccnc2C#N)CC(CO)O1
InChIInChI=1S/C12H16N4O2/c1-12(2)8-16(6-9(7-17)18-12)11-10(5-13)14-3-4-15-11/h3-4,9,17H,6-8H2,1-2H3
InChIKeyNSUHLYGJLFSGSK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.32
Rot. Bonds2

About 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile

3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile (PubChem CID 114776876) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile
PubChem CID114776876
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile
SMILESCC1(C)CN(c2nccnc2C#N)CC(CO)O1
InChIInChI=1S/C12H16N4O2/c1-12(2)8-16(6-9(7-17)18-12)11-10(5-13)14-3-4-15-11/h3-4,9,17H,6-8H2,1-2H3
InChIKeyNSUHLYGJLFSGSK-UHFFFAOYSA-N
XLogP0.32
TPSA82.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]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

Related Compounds

3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbothioamide
CID 114776973
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
CID 114776853
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 114777180
[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
CID 114779341
3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 105382742
[6,6-dimethyl-4-(1-methylimidazol-2-yl)morpholin-2-yl]methanol
CID 114779352
[4-(2-amino-5-fluoropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782748
[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 114777537
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 114779447
[4-(6-amino-5-propan-2-ylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782706
[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776247
[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782658

Frequently Asked Questions

What is the IUPAC name of 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile (CID 114776876) is 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile is CC1(C)CN(c2nccnc2C#N)CC(CO)O1.
What is the InChIKey of 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile?
The InChIKey is NSUHLYGJLFSGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2)8-16(6-9(7-17)18-12)11-10(5-13)14-3-4-15-11/h3-4,9,17H,6-8H2,1-2H3.
What are the key properties of 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile?
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 114776876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).