1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

C9H14N4O3 — CID 108887374

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O3/c1-2-13(5-6-14)9(16)10-7-3-4-8(15)12-11-7/h3-4,14H,2,5-6H2,1H3,(H,12,15)(H,10,11,16)
InChIKeyDFPIDLLCCRGZGK-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.38
Rot. Bonds4

About 1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887374) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887374
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O3/c1-2-13(5-6-14)9(16)10-7-3-4-8(15)12-11-7/h3-4,14H,2,5-6H2,1H3,(H,12,15)(H,10,11,16)
InChIKeyDFPIDLLCCRGZGK-UHFFFAOYSA-N
XLogP-0.38
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887374) is 1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is CCN(CCO)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is DFPIDLLCCRGZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-13(5-6-14)9(16)10-7-3-4-8(15)12-11-7/h3-4,14H,2,5-6H2,1H3,(H,12,15)(H,10,11,16).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 226.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).