4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one

C16H16Cl2FN3O — CID 51124351

IUPAC4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one
SMILESCC(c1ccccc1F)N(Cn1ncc(Cl)c(Cl)c1=O)C1CC1
InChIInChI=1S/C16H16Cl2FN3O/c1-10(12-4-2-3-5-14(12)19)21(11-6-7-11)9-22-16(23)15(18)13(17)8-20-22/h2-5,8,10-11H,6-7,9H2,1H3
InChIKeyIENMDPKBSURAQR-UHFFFAOYSA-N
MW356.23 g/mol
LogP3.87
Rot. Bonds5

About 4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one

4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one (PubChem CID 51124351) has the molecular formula C16H16Cl2FN3O and a molecular weight of 356.23 g/mol. Its IUPAC name is 4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one
PubChem CID51124351
Molecular FormulaC16H16Cl2FN3O
Molecular Weight356.23 g/mol
Exact Mass355.07
IUPAC Name4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one
SMILESCC(c1ccccc1F)N(Cn1ncc(Cl)c(Cl)c1=O)C1CC1
InChIInChI=1S/C16H16Cl2FN3O/c1-10(12-4-2-3-5-14(12)19)21(11-6-7-11)9-22-16(23)15(18)13(17)8-20-22/h2-5,8,10-11H,6-7,9H2,1H3
InChIKeyIENMDPKBSURAQR-UHFFFAOYSA-N
XLogP3.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one (CID 51124351) is 4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one is CC(c1ccccc1F)N(Cn1ncc(Cl)c(Cl)c1=O)C1CC1.
What is the InChIKey of 4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one?
The InChIKey is IENMDPKBSURAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN3O/c1-10(12-4-2-3-5-14(12)19)21(11-6-7-11)9-22-16(23)15(18)13(17)8-20-22/h2-5,8,10-11H,6-7,9H2,1H3.
What are the key properties of 4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one?
4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one has a molecular weight of 356.23 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]methyl]pyridazin-3-one is sourced from PubChem (CID 51124351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).