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

C7H10N4O3 — CID 13157694

IUPAC1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESO=C(NCCO)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H10N4O3/c12-4-3-8-7(14)9-5-1-2-6(13)11-10-5/h1-2,12H,3-4H2,(H,11,13)(H2,8,9,10,14)
InChIKeyVVTNHPUMOLBMNK-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.12
Rot. Bonds3

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

1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 13157694) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID13157694
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESO=C(NCCO)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H10N4O3/c12-4-3-8-7(14)9-5-1-2-6(13)11-10-5/h1-2,12H,3-4H2,(H,11,13)(H2,8,9,10,14)
InChIKeyVVTNHPUMOLBMNK-UHFFFAOYSA-N
XLogP-1.12
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-Ethyl-N'-(6-oxo-1,6-dihydropyridazin-3-yl)urea
CID 13157695
6-((2-Hydroxyethyl)amino)pyridazin-3(2H)-one
CID 71322666
1-(6-oxo-1H-pyridazin-3-yl)-3-propylurea
CID 108887201
1-(2-methoxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887236
1-(3-methoxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887245
2-[(6-oxo-1H-pyridazin-3-yl)carbamoylamino]acetic acid
CID 108887265
1,1-bis(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887266
1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887342
4-(2-hydroxyethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 108887355
1-(3-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887366
1-[2-(2-hydroxyethoxy)ethyl]-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887367
1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887374

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 13157694) is 1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is O=C(NCCO)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is VVTNHPUMOLBMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-4-3-8-7(14)9-5-1-2-6(13)11-10-5/h1-2,12H,3-4H2,(H,11,13)(H2,8,9,10,14).
What are the key properties of 1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 198.18 g/mol, XLogP of -1.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 13157694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).