1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea

C9H14N4O4 — CID 108887367

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESO=C(NCCOCCO)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O4/c14-4-6-17-5-3-10-9(16)11-7-1-2-8(15)13-12-7/h1-2,14H,3-6H2,(H,13,15)(H2,10,11,12,16)
InChIKeyUFDWGLVQSQSUNT-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.10
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea

1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887367) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887367
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESO=C(NCCOCCO)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O4/c14-4-6-17-5-3-10-9(16)11-7-1-2-8(15)13-12-7/h1-2,14H,3-6H2,(H,13,15)(H2,10,11,12,16)
InChIKeyUFDWGLVQSQSUNT-UHFFFAOYSA-N
XLogP-1.10
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887367) is 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea is O=C(NCCOCCO)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is UFDWGLVQSQSUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c14-4-6-17-5-3-10-9(16)11-7-1-2-8(15)13-12-7/h1-2,14H,3-6H2,(H,13,15)(H2,10,11,12,16).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 242.23 g/mol, XLogP of -1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).