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

C9H14N4O4 — CID 108887266

IUPAC1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESO=C(Nc1ccc(=O)[nH]n1)N(CCO)CCO
InChIInChI=1S/C9H14N4O4/c14-5-3-13(4-6-15)9(17)10-7-1-2-8(16)12-11-7/h1-2,14-15H,3-6H2,(H,12,16)(H,10,11,17)
InChIKeyGBBNRRZHRPKAAJ-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.41
Rot. Bonds5

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

1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887266) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887266
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESO=C(Nc1ccc(=O)[nH]n1)N(CCO)CCO
InChIInChI=1S/C9H14N4O4/c14-5-3-13(4-6-15)9(17)10-7-1-2-8(16)12-11-7/h1-2,14-15H,3-6H2,(H,12,16)(H,10,11,17)
InChIKeyGBBNRRZHRPKAAJ-UHFFFAOYSA-N
XLogP-1.41
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887266) is 1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is O=C(Nc1ccc(=O)[nH]n1)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is GBBNRRZHRPKAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c14-5-3-13(4-6-15)9(17)10-7-1-2-8(16)12-11-7/h1-2,14-15H,3-6H2,(H,12,16)(H,10,11,17).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 242.23 g/mol, XLogP of -1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).