5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine

C8H9Cl2N3 — CID 170498933

IUPAC5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine
SMILESNc1ncc(Cl)nc1C=CCCCl
InChIInChI=1S/C8H9Cl2N3/c9-4-2-1-3-6-8(11)12-5-7(10)13-6/h1,3,5H,2,4H2,(H2,11,12)
InChIKeyVPANQNRYDMUFQX-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.35
Rot. Bonds3

About 5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine

5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine (PubChem CID 170498933) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is 5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine
PubChem CID170498933
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC Name5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine
SMILESNc1ncc(Cl)nc1C=CCCCl
InChIInChI=1S/C8H9Cl2N3/c9-4-2-1-3-6-8(11)12-5-7(10)13-6/h1,3,5H,2,4H2,(H2,11,12)
InChIKeyVPANQNRYDMUFQX-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine?
The IUPAC name of 5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine (CID 170498933) is 5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine.
What is the SMILES notation for 5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine?
The canonical SMILES for 5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine is Nc1ncc(Cl)nc1C=CCCCl.
What is the InChIKey of 5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine?
The InChIKey is VPANQNRYDMUFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3/c9-4-2-1-3-6-8(11)12-5-7(10)13-6/h1,3,5H,2,4H2,(H2,11,12).
What are the key properties of 5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine?
5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine has a molecular weight of 218.09 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-chlorobut-1-enyl)pyrazin-2-amine is sourced from PubChem (CID 170498933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).