[1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol

C13H21N3O — CID 79066867

IUPAC[1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol
SMILESCN(C)C1(C(O)c2cnccn2)CCCCC1
InChIInChI=1S/C13H21N3O/c1-16(2)13(6-4-3-5-7-13)12(17)11-10-14-8-9-15-11/h8-10,12,17H,3-7H2,1-2H3
InChIKeySIMBCBZXLNJJTJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds3

About [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol

[1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol (PubChem CID 79066867) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol
PubChem CID79066867
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol
SMILESCN(C)C1(C(O)c2cnccn2)CCCCC1
InChIInChI=1S/C13H21N3O/c1-16(2)13(6-4-3-5-7-13)12(17)11-10-14-8-9-15-11/h8-10,12,17H,3-7H2,1-2H3
InChIKeySIMBCBZXLNJJTJ-UHFFFAOYSA-N
XLogP1.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol 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 [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol (CID 79066867) is [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol is CN(C)C1(C(O)c2cnccn2)CCCCC1.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol?
The InChIKey is SIMBCBZXLNJJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(2)13(6-4-3-5-7-13)12(17)11-10-14-8-9-15-11/h8-10,12,17H,3-7H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol?
[1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol has a molecular weight of 235.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]-pyrazin-2-ylmethanol is sourced from PubChem (CID 79066867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).