1-(3-fluorophenyl)-3-pyrazin-2-ylurea

C11H9FN4O — CID 19916756

IUPAC1-(3-fluorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cccc(F)c1)Nc1cnccn1
InChIInChI=1S/C11H9FN4O/c12-8-2-1-3-9(6-8)15-11(17)16-10-7-13-4-5-14-10/h1-7H,(H2,14,15,16,17)
InChIKeyHKVGQXNULYMLRB-UHFFFAOYSA-N
MW232.22 g/mol
LogP2.26
Rot. Bonds2

About 1-(3-fluorophenyl)-3-pyrazin-2-ylurea

1-(3-fluorophenyl)-3-pyrazin-2-ylurea (PubChem CID 19916756) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-pyrazin-2-ylurea
PubChem CID19916756
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name1-(3-fluorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cccc(F)c1)Nc1cnccn1
InChIInChI=1S/C11H9FN4O/c12-8-2-1-3-9(6-8)15-11(17)16-10-7-13-4-5-14-10/h1-7H,(H2,14,15,16,17)
InChIKeyHKVGQXNULYMLRB-UHFFFAOYSA-N
XLogP2.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(3-fluorophenyl)-3-pyrazin-2-ylurea (CID 19916756) is 1-(3-fluorophenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(3-fluorophenyl)-3-pyrazin-2-ylurea is O=C(Nc1cccc(F)c1)Nc1cnccn1.
What is the InChIKey of 1-(3-fluorophenyl)-3-pyrazin-2-ylurea?
The InChIKey is HKVGQXNULYMLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-8-2-1-3-9(6-8)15-11(17)16-10-7-13-4-5-14-10/h1-7H,(H2,14,15,16,17).
What are the key properties of 1-(3-fluorophenyl)-3-pyrazin-2-ylurea?
1-(3-fluorophenyl)-3-pyrazin-2-ylurea has a molecular weight of 232.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 19916756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).