3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one

C10H7Cl2N3O — CID 178183737

IUPAC3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one
SMILESNc1ncc(-c2cccc(Cl)c2Cl)[nH]c1=O
InChIInChI=1S/C10H7Cl2N3O/c11-6-3-1-2-5(8(6)12)7-4-14-9(13)10(16)15-7/h1-4H,(H2,13,14)(H,15,16)
InChIKeyLCNFHWNAOJSTQP-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.33
Rot. Bonds1

About 3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one

3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one (PubChem CID 178183737) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one
PubChem CID178183737
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one
SMILESNc1ncc(-c2cccc(Cl)c2Cl)[nH]c1=O
InChIInChI=1S/C10H7Cl2N3O/c11-6-3-1-2-5(8(6)12)7-4-14-9(13)10(16)15-7/h1-4H,(H2,13,14)(H,15,16)
InChIKeyLCNFHWNAOJSTQP-UHFFFAOYSA-N
XLogP2.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one (CID 178183737) is 3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one is Nc1ncc(-c2cccc(Cl)c2Cl)[nH]c1=O.
What is the InChIKey of 3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one?
The InChIKey is LCNFHWNAOJSTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-6-3-1-2-5(8(6)12)7-4-14-9(13)10(16)15-7/h1-4H,(H2,13,14)(H,15,16).
What are the key properties of 3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one?
3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one has a molecular weight of 256.09 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 178183737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).