5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine

C11H10ClN3O — CID 56719009

IUPAC5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine
SMILESCOc1ccc(-c2cnc(N)cn2)cc1Cl
InChIInChI=1S/C11H10ClN3O/c1-16-10-3-2-7(4-8(10)12)9-5-15-11(13)6-14-9/h2-6H,1H3,(H2,13,15)
InChIKeyXBJIRQTUBCZTLL-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.39
Rot. Bonds2

About 5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine

5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine (PubChem CID 56719009) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine
PubChem CID56719009
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine
SMILESCOc1ccc(-c2cnc(N)cn2)cc1Cl
InChIInChI=1S/C11H10ClN3O/c1-16-10-3-2-7(4-8(10)12)9-5-15-11(13)6-14-9/h2-6H,1H3,(H2,13,15)
InChIKeyXBJIRQTUBCZTLL-UHFFFAOYSA-N
XLogP2.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine (CID 56719009) is 5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine is COc1ccc(-c2cnc(N)cn2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine?
The InChIKey is XBJIRQTUBCZTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-16-10-3-2-7(4-8(10)12)9-5-15-11(13)6-14-9/h2-6H,1H3,(H2,13,15).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine?
5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine has a molecular weight of 235.67 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 56719009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).