1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

C11H10N4O3 — CID 108887192

IUPAC1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESO=C(Nc1cccc(O)c1)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H10N4O3/c16-8-3-1-2-7(6-8)12-11(18)13-9-4-5-10(17)15-14-9/h1-6,16H,(H,15,17)(H2,12,13,14,18)
InChIKeyZCQYLWKYCKKENI-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.12
Rot. Bonds2

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

1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887192) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887192
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESO=C(Nc1cccc(O)c1)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H10N4O3/c16-8-3-1-2-7(6-8)12-11(18)13-9-4-5-10(17)15-14-9/h1-6,16H,(H,15,17)(H2,12,13,14,18)
InChIKeyZCQYLWKYCKKENI-UHFFFAOYSA-N
XLogP1.12
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887192) is 1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is O=C(Nc1cccc(O)c1)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is ZCQYLWKYCKKENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-8-3-1-2-7(6-8)12-11(18)13-9-4-5-10(17)15-14-9/h1-6,16H,(H,15,17)(H2,12,13,14,18).
What are the key properties of 1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 246.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).