3-(2,4,5-trichlorophenoxy)pyrazin-2-amine

C10H6Cl3N3O — CID 102987702

IUPAC3-(2,4,5-trichlorophenoxy)pyrazin-2-amine
SMILESNc1nccnc1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H6Cl3N3O/c11-5-3-7(13)8(4-6(5)12)17-10-9(14)15-1-2-16-10/h1-4H,(H2,14,15)
InChIKeyDXGMKQHUGZNTJG-UHFFFAOYSA-N
MW290.54 g/mol
LogP3.81
Rot. Bonds2

About 3-(2,4,5-trichlorophenoxy)pyrazin-2-amine

3-(2,4,5-trichlorophenoxy)pyrazin-2-amine (PubChem CID 102987702) has the molecular formula C10H6Cl3N3O and a molecular weight of 290.54 g/mol. Its IUPAC name is 3-(2,4,5-trichlorophenoxy)pyrazin-2-amine.

Molecular Properties

Compound Name3-(2,4,5-trichlorophenoxy)pyrazin-2-amine
PubChem CID102987702
Molecular FormulaC10H6Cl3N3O
Molecular Weight290.54 g/mol
Exact Mass288.96
IUPAC Name3-(2,4,5-trichlorophenoxy)pyrazin-2-amine
SMILESNc1nccnc1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H6Cl3N3O/c11-5-3-7(13)8(4-6(5)12)17-10-9(14)15-1-2-16-10/h1-4H,(H2,14,15)
InChIKeyDXGMKQHUGZNTJG-UHFFFAOYSA-N
XLogP3.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trichlorophenoxy)pyrazin-2-amine?
The IUPAC name of 3-(2,4,5-trichlorophenoxy)pyrazin-2-amine (CID 102987702) is 3-(2,4,5-trichlorophenoxy)pyrazin-2-amine.
What is the SMILES notation for 3-(2,4,5-trichlorophenoxy)pyrazin-2-amine?
The canonical SMILES for 3-(2,4,5-trichlorophenoxy)pyrazin-2-amine is Nc1nccnc1Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-(2,4,5-trichlorophenoxy)pyrazin-2-amine?
The InChIKey is DXGMKQHUGZNTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3O/c11-5-3-7(13)8(4-6(5)12)17-10-9(14)15-1-2-16-10/h1-4H,(H2,14,15).
What are the key properties of 3-(2,4,5-trichlorophenoxy)pyrazin-2-amine?
3-(2,4,5-trichlorophenoxy)pyrazin-2-amine has a molecular weight of 290.54 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trichlorophenoxy)pyrazin-2-amine is sourced from PubChem (CID 102987702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).