6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine

C11H9Cl3N4 — CID 80759464

IUPAC6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine
SMILESCNc1cncc(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl3N4/c1-15-10-4-16-5-11(18-10)17-9-3-7(13)6(12)2-8(9)14/h2-5H,1H3,(H2,15,17,18)
InChIKeyGOQZDWFNRLPCBD-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.22
Rot. Bonds3

About 6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine

6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine (PubChem CID 80759464) has the molecular formula C11H9Cl3N4 and a molecular weight of 303.58 g/mol. Its IUPAC name is 6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine
PubChem CID80759464
Molecular FormulaC11H9Cl3N4
Molecular Weight303.58 g/mol
Exact Mass301.99
IUPAC Name6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine
SMILESCNc1cncc(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl3N4/c1-15-10-4-16-5-11(18-10)17-9-3-7(13)6(12)2-8(9)14/h2-5H,1H3,(H2,15,17,18)
InChIKeyGOQZDWFNRLPCBD-UHFFFAOYSA-N
XLogP4.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.22
H-Bond Donors ≤ 52
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 6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine (CID 80759464) is 6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine is CNc1cncc(Nc2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine?
The InChIKey is GOQZDWFNRLPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4/c1-15-10-4-16-5-11(18-10)17-9-3-7(13)6(12)2-8(9)14/h2-5H,1H3,(H2,15,17,18).
What are the key properties of 6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine?
6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine has a molecular weight of 303.58 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80759464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).