1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea

C15H23FN4O2 — CID 167753421

IUPAC1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea
SMILESCCc1n[nH]c(=O)c(CNC(=O)NC2(CF)CCC2)c1CC
InChIInChI=1S/C15H23FN4O2/c1-3-10-11(13(21)20-19-12(10)4-2)8-17-14(22)18-15(9-16)6-5-7-15/h3-9H2,1-2H3,(H,20,21)(H2,17,18,22)
InChIKeyYMDCRERZOIZQHX-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.59
Rot. Bonds6

About 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea

1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea (PubChem CID 167753421) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea.

Molecular Properties

Compound Name1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea
PubChem CID167753421
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Name1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea
SMILESCCc1n[nH]c(=O)c(CNC(=O)NC2(CF)CCC2)c1CC
InChIInChI=1S/C15H23FN4O2/c1-3-10-11(13(21)20-19-12(10)4-2)8-17-14(22)18-15(9-16)6-5-7-15/h3-9H2,1-2H3,(H,20,21)(H2,17,18,22)
InChIKeyYMDCRERZOIZQHX-UHFFFAOYSA-N
XLogP1.59
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea?
The IUPAC name of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea (CID 167753421) is 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea.
What is the SMILES notation for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea?
The canonical SMILES for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea is CCc1n[nH]c(=O)c(CNC(=O)NC2(CF)CCC2)c1CC.
What is the InChIKey of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea?
The InChIKey is YMDCRERZOIZQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O2/c1-3-10-11(13(21)20-19-12(10)4-2)8-17-14(22)18-15(9-16)6-5-7-15/h3-9H2,1-2H3,(H,20,21)(H2,17,18,22).
What are the key properties of 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea?
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea has a molecular weight of 310.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[1-(fluoromethyl)cyclobutyl]urea is sourced from PubChem (CID 167753421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).