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

C7H10N4O2 — CID 13157695

IUPAC1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H10N4O2/c1-2-8-7(13)9-5-3-4-6(12)11-10-5/h3-4H,2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeyMIFHFFSFLPFYSG-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.09
Rot. Bonds2

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

1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 13157695) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID13157695
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCCNC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H10N4O2/c1-2-8-7(13)9-5-3-4-6(12)11-10-5/h3-4H,2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeyMIFHFFSFLPFYSG-UHFFFAOYSA-N
XLogP-0.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 13157695) is 1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea is CCNC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is MIFHFFSFLPFYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-2-8-7(13)9-5-3-4-6(12)11-10-5/h3-4H,2H2,1H3,(H,11,12)(H2,8,9,10,13).
What are the key properties of 1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 182.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 13157695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).