1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea

C17H20N4O2 — CID 122280845

IUPAC1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
SMILESCc1ccccc1NC(=O)NCCn1nc2c(cc1=O)CCC2
InChIInChI=1S/C17H20N4O2/c1-12-5-2-3-7-14(12)19-17(23)18-9-10-21-16(22)11-13-6-4-8-15(13)20-21/h2-3,5,7,11H,4,6,8-10H2,1H3,(H2,18,19,23)
InChIKeyRRWHDCYGFVYLRG-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.86
Rot. Bonds4

About 1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea

1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea (PubChem CID 122280845) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
PubChem CID122280845
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
SMILESCc1ccccc1NC(=O)NCCn1nc2c(cc1=O)CCC2
InChIInChI=1S/C17H20N4O2/c1-12-5-2-3-7-14(12)19-17(23)18-9-10-21-16(22)11-13-6-4-8-15(13)20-21/h2-3,5,7,11H,4,6,8-10H2,1H3,(H2,18,19,23)
InChIKeyRRWHDCYGFVYLRG-UHFFFAOYSA-N
XLogP1.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea (CID 122280845) is 1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea is Cc1ccccc1NC(=O)NCCn1nc2c(cc1=O)CCC2.
What is the InChIKey of 1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea?
The InChIKey is RRWHDCYGFVYLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-5-2-3-7-14(12)19-17(23)18-9-10-21-16(22)11-13-6-4-8-15(13)20-21/h2-3,5,7,11H,4,6,8-10H2,1H3,(H2,18,19,23).
What are the key properties of 1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea?
1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea has a molecular weight of 312.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea is sourced from PubChem (CID 122280845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).