5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine

C11H9Cl2N5 — CID 54327099

IUPAC5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine
SMILESNc1nc(Cl)c(Cl)nc1C/N=N/c1ccccc1
InChIInChI=1S/C11H9Cl2N5/c12-9-10(13)17-11(14)8(16-9)6-15-18-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,17)/b18-15+
InChIKeySVSRPAHZRZOKQR-OBGWFSINSA-N
MW282.13 g/mol
LogP3.65
Rot. Bonds3

About 5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine

5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine (PubChem CID 54327099) has the molecular formula C11H9Cl2N5 and a molecular weight of 282.13 g/mol. Its IUPAC name is 5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine
PubChem CID54327099
Molecular FormulaC11H9Cl2N5
Molecular Weight282.13 g/mol
Exact Mass281.02
IUPAC Name5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine
SMILESNc1nc(Cl)c(Cl)nc1C/N=N/c1ccccc1
InChIInChI=1S/C11H9Cl2N5/c12-9-10(13)17-11(14)8(16-9)6-15-18-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,17)/b18-15+
InChIKeySVSRPAHZRZOKQR-OBGWFSINSA-N
XLogP3.65
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine?
The IUPAC name of 5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine (CID 54327099) is 5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine?
The canonical SMILES for 5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine is Nc1nc(Cl)c(Cl)nc1C/N=N/c1ccccc1.
What is the InChIKey of 5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine?
The InChIKey is SVSRPAHZRZOKQR-OBGWFSINSA-N. The full InChI is InChI=1S/C11H9Cl2N5/c12-9-10(13)17-11(14)8(16-9)6-15-18-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,17)/b18-15+.
What are the key properties of 5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine?
5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine has a molecular weight of 282.13 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(phenyldiazenylmethyl)pyrazin-2-amine is sourced from PubChem (CID 54327099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).