6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one

C15H11Cl2F3N2O — CID 55874406

IUPAC6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2F3N2O/c16-11-4-1-8(5-12(11)17)7-22-14(23)10(15(18,19)20)6-13(21-22)9-2-3-9/h1,4-6,9H,2-3,7H2
InChIKeyIFCNRUZUNNBUJK-UHFFFAOYSA-N
MW363.17 g/mol
LogP4.49
Rot. Bonds3

About 6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one

6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 55874406) has the molecular formula C15H11Cl2F3N2O and a molecular weight of 363.17 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
PubChem CID55874406
Molecular FormulaC15H11Cl2F3N2O
Molecular Weight363.17 g/mol
Exact Mass362.02
IUPAC Name6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2F3N2O/c16-11-4-1-8(5-12(11)17)7-22-14(23)10(15(18,19)20)6-13(21-22)9-2-3-9/h1,4-6,9H,2-3,7H2
InChIKeyIFCNRUZUNNBUJK-UHFFFAOYSA-N
XLogP4.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one (CID 55874406) is 6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one is O=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is IFCNRUZUNNBUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O/c16-11-4-1-8(5-12(11)17)7-22-14(23)10(15(18,19)20)6-13(21-22)9-2-3-9/h1,4-6,9H,2-3,7H2.
What are the key properties of 6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 363.17 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 55874406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).