N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine

C12H10Cl3N3O — CID 80863080

IUPACN-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine
SMILESCCNc1cncc(Oc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H10Cl3N3O/c1-2-17-11-5-16-6-12(18-11)19-10-4-8(14)7(13)3-9(10)15/h3-6H,2H2,1H3,(H,17,18)
InChIKeyRQSSFBDJTFVHPQ-UHFFFAOYSA-N
MW318.59 g/mol
LogP4.66
Rot. Bonds4

About N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine

N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine (PubChem CID 80863080) has the molecular formula C12H10Cl3N3O and a molecular weight of 318.59 g/mol. Its IUPAC name is N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine
PubChem CID80863080
Molecular FormulaC12H10Cl3N3O
Molecular Weight318.59 g/mol
Exact Mass316.99
IUPAC NameN-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine
SMILESCCNc1cncc(Oc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H10Cl3N3O/c1-2-17-11-5-16-6-12(18-11)19-10-4-8(14)7(13)3-9(10)15/h3-6H,2H2,1H3,(H,17,18)
InChIKeyRQSSFBDJTFVHPQ-UHFFFAOYSA-N
XLogP4.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 54.66
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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Related Compounds

N-ethyl-6-(2,3,5-trimethylphenoxy)pyrazin-2-amine
CID 80881852
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine
CID 80875965
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
N-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrazin-2-amine
CID 80871590
N-ethyl-6-(4-methoxy-2-nitrophenoxy)pyrazin-2-amine
CID 78989587
6-butoxy-N-ethylpyrazin-2-amine
CID 80865504
6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine
CID 116691218
6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 83236953
6,7-dichloro-N-ethylquinoxalin-2-amine
CID 133462663
3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile
CID 103568468
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 80877912
6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
CID 82718278

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine?
The IUPAC name of N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine (CID 80863080) is N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine?
The canonical SMILES for N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine is CCNc1cncc(Oc2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine?
The InChIKey is RQSSFBDJTFVHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O/c1-2-17-11-5-16-6-12(18-11)19-10-4-8(14)7(13)3-9(10)15/h3-6H,2H2,1H3,(H,17,18).
What are the key properties of N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine?
N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine has a molecular weight of 318.59 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine is sourced from PubChem (CID 80863080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).