1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

C14H15ClN4O2 — CID 30948615

IUPAC1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESO=C(NCCCn1ncccc1=O)Nc1ccccc1Cl
InChIInChI=1S/C14H15ClN4O2/c15-11-5-1-2-6-12(11)18-14(21)16-8-4-10-19-13(20)7-3-9-17-19/h1-3,5-7,9H,4,8,10H2,(H2,16,18,21)
InChIKeyNDBOSFLJJAFOSE-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.11
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (PubChem CID 30948615) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
PubChem CID30948615
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESO=C(NCCCn1ncccc1=O)Nc1ccccc1Cl
InChIInChI=1S/C14H15ClN4O2/c15-11-5-1-2-6-12(11)18-14(21)16-8-4-10-19-13(20)7-3-9-17-19/h1-3,5-7,9H,4,8,10H2,(H2,16,18,21)
InChIKeyNDBOSFLJJAFOSE-UHFFFAOYSA-N
XLogP2.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.11
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-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (CID 30948615) is 1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is O=C(NCCCn1ncccc1=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The InChIKey is NDBOSFLJJAFOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-11-5-1-2-6-12(11)18-14(21)16-8-4-10-19-13(20)7-3-9-17-19/h1-3,5-7,9H,4,8,10H2,(H2,16,18,21).
What are the key properties of 1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea has a molecular weight of 306.75 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is sourced from PubChem (CID 30948615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).