1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea

C11H8Cl2N4O — CID 24818577

IUPAC1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cnccn1
InChIInChI=1S/C11H8Cl2N4O/c12-7-3-8(13)5-9(4-7)16-11(18)17-10-6-14-1-2-15-10/h1-6H,(H2,15,16,17,18)
InChIKeyXAUOSOQLCPSEID-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.43
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea

1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea (PubChem CID 24818577) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea
PubChem CID24818577
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC Name1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cnccn1
InChIInChI=1S/C11H8Cl2N4O/c12-7-3-8(13)5-9(4-7)16-11(18)17-10-6-14-1-2-15-10/h1-6H,(H2,15,16,17,18)
InChIKeyXAUOSOQLCPSEID-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea (CID 24818577) is 1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cnccn1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea?
The InChIKey is XAUOSOQLCPSEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c12-7-3-8(13)5-9(4-7)16-11(18)17-10-6-14-1-2-15-10/h1-6H,(H2,15,16,17,18).
What are the key properties of 1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea?
1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea has a molecular weight of 283.12 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 24818577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).