1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

C12H19N5O3 — CID 108887322

IUPAC1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESO=C(NCCCN1CCOCC1)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H19N5O3/c18-11-3-2-10(15-16-11)14-12(19)13-4-1-5-17-6-8-20-9-7-17/h2-3H,1,4-9H2,(H,16,18)(H2,13,14,15,19)
InChIKeySKLILJSBUOONTR-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.39
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887322) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887322
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESO=C(NCCCN1CCOCC1)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H19N5O3/c18-11-3-2-10(15-16-11)14-12(19)13-4-1-5-17-6-8-20-9-7-17/h2-3H,1,4-9H2,(H,16,18)(H2,13,14,15,19)
InChIKeySKLILJSBUOONTR-UHFFFAOYSA-N
XLogP-0.39
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887322) is 1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is O=C(NCCCN1CCOCC1)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is SKLILJSBUOONTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c18-11-3-2-10(15-16-11)14-12(19)13-4-1-5-17-6-8-20-9-7-17/h2-3H,1,4-9H2,(H,16,18)(H2,13,14,15,19).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 281.32 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).