6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine

C11H9Cl2N3 — CID 114879324

IUPAC6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine
SMILESCNc1cncc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N3/c1-14-11-6-15-5-10(16-11)7-2-8(12)4-9(13)3-7/h2-6H,1H3,(H,14,16)
InChIKeyVBQGOKODIRCVNS-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.49
Rot. Bonds2

About 6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine

6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine (PubChem CID 114879324) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine
PubChem CID114879324
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine
SMILESCNc1cncc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N3/c1-14-11-6-15-5-10(16-11)7-2-8(12)4-9(13)3-7/h2-6H,1H3,(H,14,16)
InChIKeyVBQGOKODIRCVNS-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine (CID 114879324) is 6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine is CNc1cncc(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine?
The InChIKey is VBQGOKODIRCVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-14-11-6-15-5-10(16-11)7-2-8(12)4-9(13)3-7/h2-6H,1H3,(H,14,16).
What are the key properties of 6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine?
6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine has a molecular weight of 254.12 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 114879324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).