2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one

C8H10F3N3O — CID 122239451

IUPAC2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESNCCCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-2-3-7(15)14(13-6)5-1-4-12/h2-3H,1,4-5,12H2
InChIKeyNHZZLLPPMWKCLE-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.61
Rot. Bonds3

About 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one

2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 122239451) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one
PubChem CID122239451
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESNCCCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-2-3-7(15)14(13-6)5-1-4-12/h2-3H,1,4-5,12H2
InChIKeyNHZZLLPPMWKCLE-UHFFFAOYSA-N
XLogP0.61
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one (CID 122239451) is 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one is NCCCn1nc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is NHZZLLPPMWKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6-2-3-7(15)14(13-6)5-1-4-12/h2-3H,1,4-5,12H2.
What are the key properties of 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one?
2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 221.18 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 122239451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).