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

C12H15F3N2O2 — CID 75416049

IUPAC6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one
SMILESCOCCCn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C12H15F3N2O2/c1-19-6-2-5-17-11(18)9(12(13,14)15)7-10(16-17)8-3-4-8/h7-8H,2-6H2,1H3
InChIKeyYTTMGNMIIWJOIE-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.18
Rot. Bonds5

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

6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 75416049) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one
PubChem CID75416049
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one
SMILESCOCCCn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C12H15F3N2O2/c1-19-6-2-5-17-11(18)9(12(13,14)15)7-10(16-17)8-3-4-8/h7-8H,2-6H2,1H3
InChIKeyYTTMGNMIIWJOIE-UHFFFAOYSA-N
XLogP2.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one (CID 75416049) is 6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one is COCCCn1nc(C2CC2)cc(C(F)(F)F)c1=O.
What is the InChIKey of 6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is YTTMGNMIIWJOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-19-6-2-5-17-11(18)9(12(13,14)15)7-10(16-17)8-3-4-8/h7-8H,2-6H2,1H3.
What are the key properties of 6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one?
6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 276.26 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(3-methoxypropyl)-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 75416049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).