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

C8H12N4O3 — CID 108887342

IUPAC1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCC(O)CNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N4O3/c1-5(13)4-9-8(15)10-6-2-3-7(14)12-11-6/h2-3,5,13H,4H2,1H3,(H,12,14)(H2,9,10,11,15)
InChIKeyNCZDHTRSAMFWNH-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.73
Rot. Bonds3

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

1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887342) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887342
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCC(O)CNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N4O3/c1-5(13)4-9-8(15)10-6-2-3-7(14)12-11-6/h2-3,5,13H,4H2,1H3,(H,12,14)(H2,9,10,11,15)
InChIKeyNCZDHTRSAMFWNH-UHFFFAOYSA-N
XLogP-0.73
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887342) is 1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is CC(O)CNC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is NCZDHTRSAMFWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5(13)4-9-8(15)10-6-2-3-7(14)12-11-6/h2-3,5,13H,4H2,1H3,(H,12,14)(H2,9,10,11,15).
What are the key properties of 1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 212.21 g/mol, XLogP of -0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).