1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine

C12H11Cl2N3 — CID 115860583

IUPAC1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1)c1cnccn1
InChIInChI=1S/C12H11Cl2N3/c1-15-12(11-7-16-2-3-17-11)8-4-9(13)6-10(14)5-8/h2-7,12,15H,1H3
InChIKeyZTDNATQSXHNZEZ-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.09
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine

1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 115860583) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID115860583
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1)c1cnccn1
InChIInChI=1S/C12H11Cl2N3/c1-15-12(11-7-16-2-3-17-11)8-4-9(13)6-10(14)5-8/h2-7,12,15H,1H3
InChIKeyZTDNATQSXHNZEZ-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969023
N-methyl-1-(4-propan-2-ylphenyl)-1-pyrazin-2-ylmethanamine
CID 55120381
1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860556
N-methyl-1-(6-methyl-3-pyridinyl)-1-pyrazin-2-ylmethanamine
CID 63156012
1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085542
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149963
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
1-(1-benzofuran-2-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969228
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 115860583) is 1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine is CNC(c1cc(Cl)cc(Cl)c1)c1cnccn1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is ZTDNATQSXHNZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-15-12(11-7-16-2-3-17-11)8-4-9(13)6-10(14)5-8/h2-7,12,15H,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine has a molecular weight of 268.15 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).