1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

C10H16N4O3 — CID 108887238

IUPAC1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCCOCCCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O3/c1-2-17-7-3-6-11-10(16)12-8-4-5-9(15)14-13-8/h4-5H,2-3,6-7H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyNCPPUGMUAADKGY-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.32
Rot. Bonds6

About 1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887238) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887238
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCCOCCCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N4O3/c1-2-17-7-3-6-11-10(16)12-8-4-5-9(15)14-13-8/h4-5H,2-3,6-7H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyNCPPUGMUAADKGY-UHFFFAOYSA-N
XLogP0.32
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
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-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887238) is 1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is CCOCCCNC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is NCPPUGMUAADKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-17-7-3-6-11-10(16)12-8-4-5-9(15)14-13-8/h4-5H,2-3,6-7H2,1H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 240.26 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).