2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol

C12H18ClN3O — CID 10422510

IUPAC2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol
SMILESOCCN(c1cncc(Cl)n1)C1CCCCC1
InChIInChI=1S/C12H18ClN3O/c13-11-8-14-9-12(15-11)16(6-7-17)10-4-2-1-3-5-10/h8-10,17H,1-7H2
InChIKeyJPJBBNQTHLBXLL-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.26
Rot. Bonds4

About 2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol

2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol (PubChem CID 10422510) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol
PubChem CID10422510
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol
SMILESOCCN(c1cncc(Cl)n1)C1CCCCC1
InChIInChI=1S/C12H18ClN3O/c13-11-8-14-9-12(15-11)16(6-7-17)10-4-2-1-3-5-10/h8-10,17H,1-7H2
InChIKeyJPJBBNQTHLBXLL-UHFFFAOYSA-N
XLogP2.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol (CID 10422510) is 2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol is OCCN(c1cncc(Cl)n1)C1CCCCC1.
What is the InChIKey of 2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol?
The InChIKey is JPJBBNQTHLBXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-11-8-14-9-12(15-11)16(6-7-17)10-4-2-1-3-5-10/h8-10,17H,1-7H2.
What are the key properties of 2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol?
2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol has a molecular weight of 255.75 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrazin-2-yl)-cyclohexylamino]ethanol is sourced from PubChem (CID 10422510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).