1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

C14H15FN4O2 — CID 30860678

IUPAC1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESO=C(NCCCn1ncccc1=O)Nc1cccc(F)c1
InChIInChI=1S/C14H15FN4O2/c15-11-4-1-5-12(10-11)18-14(21)16-7-3-9-19-13(20)6-2-8-17-19/h1-2,4-6,8,10H,3,7,9H2,(H2,16,18,21)
InChIKeyKXNBYHYJHWJPLX-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (PubChem CID 30860678) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
PubChem CID30860678
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESO=C(NCCCn1ncccc1=O)Nc1cccc(F)c1
InChIInChI=1S/C14H15FN4O2/c15-11-4-1-5-12(10-11)18-14(21)16-7-3-9-19-13(20)6-2-8-17-19/h1-2,4-6,8,10H,3,7,9H2,(H2,16,18,21)
InChIKeyKXNBYHYJHWJPLX-UHFFFAOYSA-N
XLogP1.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (CID 30860678) is 1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is O=C(NCCCn1ncccc1=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The InChIKey is KXNBYHYJHWJPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-11-4-1-5-12(10-11)18-14(21)16-7-3-9-19-13(20)6-2-8-17-19/h1-2,4-6,8,10H,3,7,9H2,(H2,16,18,21).
What are the key properties of 1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea has a molecular weight of 290.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is sourced from PubChem (CID 30860678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).