2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol

C9H14ClN3O — CID 103054105

IUPAC2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cnc(Cl)cn1
InChIInChI=1S/C9H14ClN3O/c1-2-13(3-4-14)7-8-5-12-9(10)6-11-8/h5-6,14H,2-4,7H2,1H3
InChIKeySUROBBZNVUYCPE-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.94
Rot. Bonds5

About 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol

2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol (PubChem CID 103054105) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol
PubChem CID103054105
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cnc(Cl)cn1
InChIInChI=1S/C9H14ClN3O/c1-2-13(3-4-14)7-8-5-12-9(10)6-11-8/h5-6,14H,2-4,7H2,1H3
InChIKeySUROBBZNVUYCPE-UHFFFAOYSA-N
XLogP0.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol (CID 103054105) is 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol is CCN(CCO)Cc1cnc(Cl)cn1.
What is the InChIKey of 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol?
The InChIKey is SUROBBZNVUYCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-2-13(3-4-14)7-8-5-12-9(10)6-11-8/h5-6,14H,2-4,7H2,1H3.
What are the key properties of 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol?
2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol has a molecular weight of 215.68 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol is sourced from PubChem (CID 103054105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).