1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea

C11H10N4O2 — CID 54374887

IUPAC1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea
SMILESO=C(N=c1cccnn1O)Nc1ccccc1
InChIInChI=1S/C11H10N4O2/c16-11(13-9-5-2-1-3-6-9)14-10-7-4-8-12-15(10)17/h1-8,17H,(H,13,16)
InChIKeyPKGXTKGABCWRKG-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.25
Rot. Bonds1

About 1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea

1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea (PubChem CID 54374887) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea.

Molecular Properties

Compound Name1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea
PubChem CID54374887
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea
SMILESO=C(N=c1cccnn1O)Nc1ccccc1
InChIInChI=1S/C11H10N4O2/c16-11(13-9-5-2-1-3-6-9)14-10-7-4-8-12-15(10)17/h1-8,17H,(H,13,16)
InChIKeyPKGXTKGABCWRKG-UHFFFAOYSA-N
XLogP1.25
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea?
The IUPAC name of 1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea (CID 54374887) is 1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea.
What is the SMILES notation for 1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea?
The canonical SMILES for 1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea is O=C(N=c1cccnn1O)Nc1ccccc1.
What is the InChIKey of 1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea?
The InChIKey is PKGXTKGABCWRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-11(13-9-5-2-1-3-6-9)14-10-7-4-8-12-15(10)17/h1-8,17H,(H,13,16).
What are the key properties of 1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea?
1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea has a molecular weight of 230.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypyridazin-3-ylidene)-3-phenylurea is sourced from PubChem (CID 54374887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).