2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol

C7H8Cl3N3O — CID 21429941

IUPAC2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol
SMILESCN(CCO)c1nc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C7H8Cl3N3O/c1-13(2-3-14)7-6(10)11-4(8)5(9)12-7/h14H,2-3H2,1H3
InChIKeyPHKVUVPZGTUYOK-UHFFFAOYSA-N
MW256.52 g/mol
LogP1.87
Rot. Bonds3

About 2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol

2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol (PubChem CID 21429941) has the molecular formula C7H8Cl3N3O and a molecular weight of 256.52 g/mol. Its IUPAC name is 2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol
PubChem CID21429941
Molecular FormulaC7H8Cl3N3O
Molecular Weight256.52 g/mol
Exact Mass254.97
IUPAC Name2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol
SMILESCN(CCO)c1nc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C7H8Cl3N3O/c1-13(2-3-14)7-6(10)11-4(8)5(9)12-7/h14H,2-3H2,1H3
InChIKeyPHKVUVPZGTUYOK-UHFFFAOYSA-N
XLogP1.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.52
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol?
The IUPAC name of 2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol (CID 21429941) is 2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol is CN(CCO)c1nc(Cl)c(Cl)nc1Cl.
What is the InChIKey of 2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol?
The InChIKey is PHKVUVPZGTUYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl3N3O/c1-13(2-3-14)7-6(10)11-4(8)5(9)12-7/h14H,2-3H2,1H3.
What are the key properties of 2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol?
2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol has a molecular weight of 256.52 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol is sourced from PubChem (CID 21429941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).