1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea

C16H18N4O2 — CID 122246350

IUPAC1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)Nc1ccccc1
InChIInChI=1S/C16H18N4O2/c21-15-9-8-14(12-6-7-12)19-20(15)11-10-17-16(22)18-13-4-2-1-3-5-13/h1-5,8-9,12H,6-7,10-11H2,(H2,17,18,22)
InChIKeyGNEAUVKGTARQRP-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.94
Rot. Bonds5

About 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea

1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea (PubChem CID 122246350) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
PubChem CID122246350
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)Nc1ccccc1
InChIInChI=1S/C16H18N4O2/c21-15-9-8-14(12-6-7-12)19-20(15)11-10-17-16(22)18-13-4-2-1-3-5-13/h1-5,8-9,12H,6-7,10-11H2,(H2,17,18,22)
InChIKeyGNEAUVKGTARQRP-UHFFFAOYSA-N
XLogP1.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
CID 122278182
1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278171
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
1-cyclopentyl-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278186
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylpropanamide
CID 122277842
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277796
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
CID 72718704
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 122278018
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 122278178
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 122277905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea (CID 122246350) is 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea is O=C(NCCn1nc(C2CC2)ccc1=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea?
The InChIKey is GNEAUVKGTARQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15-9-8-14(12-6-7-12)19-20(15)11-10-17-16(22)18-13-4-2-1-3-5-13/h1-5,8-9,12H,6-7,10-11H2,(H2,17,18,22).
What are the key properties of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea?
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea has a molecular weight of 298.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 122246350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).