5-[(2-chloroanilino)methyl]pyrazin-2-amine

C11H11ClN4 — CID 16745789

IUPAC5-[(2-chloroanilino)methyl]pyrazin-2-amine
SMILESNc1cnc(CNc2ccccc2Cl)cn1
InChIInChI=1S/C11H11ClN4/c12-9-3-1-2-4-10(9)15-5-8-6-16-11(13)7-14-8/h1-4,6-7,15H,5H2,(H2,13,16)
InChIKeyHHYYZAZAYYRBLH-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.32
Rot. Bonds3

About 5-[(2-chloroanilino)methyl]pyrazin-2-amine

5-[(2-chloroanilino)methyl]pyrazin-2-amine (PubChem CID 16745789) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-[(2-chloroanilino)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(2-chloroanilino)methyl]pyrazin-2-amine
PubChem CID16745789
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-[(2-chloroanilino)methyl]pyrazin-2-amine
SMILESNc1cnc(CNc2ccccc2Cl)cn1
InChIInChI=1S/C11H11ClN4/c12-9-3-1-2-4-10(9)15-5-8-6-16-11(13)7-14-8/h1-4,6-7,15H,5H2,(H2,13,16)
InChIKeyHHYYZAZAYYRBLH-UHFFFAOYSA-N
XLogP2.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloroanilino)methyl]pyrazin-2-amine?
The IUPAC name of 5-[(2-chloroanilino)methyl]pyrazin-2-amine (CID 16745789) is 5-[(2-chloroanilino)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[(2-chloroanilino)methyl]pyrazin-2-amine?
The canonical SMILES for 5-[(2-chloroanilino)methyl]pyrazin-2-amine is Nc1cnc(CNc2ccccc2Cl)cn1.
What is the InChIKey of 5-[(2-chloroanilino)methyl]pyrazin-2-amine?
The InChIKey is HHYYZAZAYYRBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-9-3-1-2-4-10(9)15-5-8-6-16-11(13)7-14-8/h1-4,6-7,15H,5H2,(H2,13,16).
What are the key properties of 5-[(2-chloroanilino)methyl]pyrazin-2-amine?
5-[(2-chloroanilino)methyl]pyrazin-2-amine has a molecular weight of 234.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloroanilino)methyl]pyrazin-2-amine is sourced from PubChem (CID 16745789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).