4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one

C11H13BrF3N3O — CID 106214979

IUPAC4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one
SMILESCCCn1ncc(NC2(C(F)(F)F)CC2)c(Br)c1=O
InChIInChI=1S/C11H13BrF3N3O/c1-2-5-18-9(19)8(12)7(6-16-18)17-10(3-4-10)11(13,14)15/h6,17H,2-5H2,1H3
InChIKeyQAPFYDZZPVEQST-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.92
Rot. Bonds4

About 4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one

4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one (PubChem CID 106214979) has the molecular formula C11H13BrF3N3O and a molecular weight of 340.14 g/mol. Its IUPAC name is 4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one
PubChem CID106214979
Molecular FormulaC11H13BrF3N3O
Molecular Weight340.14 g/mol
Exact Mass339.02
IUPAC Name4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one
SMILESCCCn1ncc(NC2(C(F)(F)F)CC2)c(Br)c1=O
InChIInChI=1S/C11H13BrF3N3O/c1-2-5-18-9(19)8(12)7(6-16-18)17-10(3-4-10)11(13,14)15/h6,17H,2-5H2,1H3
InChIKeyQAPFYDZZPVEQST-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one (CID 106214979) is 4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one is CCCn1ncc(NC2(C(F)(F)F)CC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one?
The InChIKey is QAPFYDZZPVEQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O/c1-2-5-18-9(19)8(12)7(6-16-18)17-10(3-4-10)11(13,14)15/h6,17H,2-5H2,1H3.
What are the key properties of 4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one?
4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one has a molecular weight of 340.14 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazin-3-one is sourced from PubChem (CID 106214979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).