6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one

C13H17F3N2O — CID 75404364

IUPAC6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one
SMILESCCCCCn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C13H17F3N2O/c1-2-3-4-7-18-12(19)10(13(14,15)16)8-11(17-18)9-5-6-9/h8-9H,2-7H2,1H3
InChIKeyFSQPALORLWFKDS-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.33
Rot. Bonds5

About 6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one

6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 75404364) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one
PubChem CID75404364
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one
SMILESCCCCCn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C13H17F3N2O/c1-2-3-4-7-18-12(19)10(13(14,15)16)8-11(17-18)9-5-6-9/h8-9H,2-7H2,1H3
InChIKeyFSQPALORLWFKDS-UHFFFAOYSA-N
XLogP3.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one (CID 75404364) is 6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one is CCCCCn1nc(C2CC2)cc(C(F)(F)F)c1=O.
What is the InChIKey of 6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is FSQPALORLWFKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-2-3-4-7-18-12(19)10(13(14,15)16)8-11(17-18)9-5-6-9/h8-9H,2-7H2,1H3.
What are the key properties of 6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one?
6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 274.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 75404364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).