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

C18H22N4O2 — CID 122278182

IUPAC1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C18H22N4O2/c23-17-9-8-16(15-6-7-15)21-22(17)13-12-20-18(24)19-11-10-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2,(H2,19,20,24)
InChIKeyOMJXARMFNOSEQM-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.66
Rot. Bonds7

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

1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea (PubChem CID 122278182) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
PubChem CID122278182
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C18H22N4O2/c23-17-9-8-16(15-6-7-15)21-22(17)13-12-20-18(24)19-11-10-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2,(H2,19,20,24)
InChIKeyOMJXARMFNOSEQM-UHFFFAOYSA-N
XLogP1.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylpropanamide
CID 122277842
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277796
1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278171
1-cyclopentyl-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278186
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 122278178
3-(3-chlorophenyl)-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]propanamide
CID 122246339
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 122277905
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea (CID 122278182) is 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCCn1nc(C2CC2)ccc1=O.
What is the InChIKey of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea?
The InChIKey is OMJXARMFNOSEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17-9-8-16(15-6-7-15)21-22(17)13-12-20-18(24)19-11-10-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2,(H2,19,20,24).
What are the key properties of 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea?
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea has a molecular weight of 326.40 g/mol, XLogP of 1.66, 7 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-(2-phenylethyl)urea is sourced from PubChem (CID 122278182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).