3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one

C10H14F3N3O — CID 170277930

IUPAC3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCCCN(CC)c1cc(C(F)(F)F)c(=O)[nH]n1
InChIInChI=1S/C10H14F3N3O/c1-3-5-16(4-2)8-6-7(10(11,12)13)9(17)15-14-8/h6H,3-5H2,1-2H3,(H,15,17)
InChIKeyVOXPEMDHHMZMCL-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.03
Rot. Bonds4

About 3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one

3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 170277930) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID170277930
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCCCN(CC)c1cc(C(F)(F)F)c(=O)[nH]n1
InChIInChI=1S/C10H14F3N3O/c1-3-5-16(4-2)8-6-7(10(11,12)13)9(17)15-14-8/h6H,3-5H2,1-2H3,(H,15,17)
InChIKeyVOXPEMDHHMZMCL-UHFFFAOYSA-N
XLogP2.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 170277930) is 3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one is CCCN(CC)c1cc(C(F)(F)F)c(=O)[nH]n1.
What is the InChIKey of 3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is VOXPEMDHHMZMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-5-16(4-2)8-6-7(10(11,12)13)9(17)15-14-8/h6H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one?
3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 249.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 170277930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).