N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine

C12H10Cl3N3O — CID 103058486

IUPACN-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine
SMILESCNc1cnc(COc2c(Cl)cc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H10Cl3N3O/c1-16-11-5-17-8(4-18-11)6-19-12-9(14)2-7(13)3-10(12)15/h2-5H,6H2,1H3,(H,16,18)
InChIKeyVDZKBZJFSQKPIT-UHFFFAOYSA-N
MW318.59 g/mol
LogP4.06
Rot. Bonds4

About N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine

N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine (PubChem CID 103058486) has the molecular formula C12H10Cl3N3O and a molecular weight of 318.59 g/mol. Its IUPAC name is N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine
PubChem CID103058486
Molecular FormulaC12H10Cl3N3O
Molecular Weight318.59 g/mol
Exact Mass316.99
IUPAC NameN-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine
SMILESCNc1cnc(COc2c(Cl)cc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H10Cl3N3O/c1-16-11-5-17-8(4-18-11)6-19-12-9(14)2-7(13)3-10(12)15/h2-5H,6H2,1H3,(H,16,18)
InChIKeyVDZKBZJFSQKPIT-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058876
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyrazin-2-amine
CID 103059157
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057871
5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine
CID 63487402
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
5-(hexoxymethyl)-N-methylpyrazin-2-amine
CID 103058547
[3-[[5-(methylamino)pyrazin-2-yl]methoxy]phenyl]methanol
CID 103058951
3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine
CID 104514161
5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine
CID 103059229
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057883
5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103058081

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine?
The IUPAC name of N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine (CID 103058486) is N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine is CNc1cnc(COc2c(Cl)cc(Cl)cc2Cl)cn1.
What is the InChIKey of N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine?
The InChIKey is VDZKBZJFSQKPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O/c1-16-11-5-17-8(4-18-11)6-19-12-9(14)2-7(13)3-10(12)15/h2-5H,6H2,1H3,(H,16,18).
What are the key properties of N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine?
N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine has a molecular weight of 318.59 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine is sourced from PubChem (CID 103058486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).