2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one

C10H12F3N3O — CID 170173185

IUPAC2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one
SMILESNn1ncc(C2CCCC2)c(C(F)(F)F)c1=O
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-7(6-3-1-2-4-6)5-15-16(14)9(8)17/h5-6H,1-4,14H2
InChIKeyLNXGYZRFAXCQSZ-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.63
Rot. Bonds1

About 2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one

2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 170173185) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one
PubChem CID170173185
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one
SMILESNn1ncc(C2CCCC2)c(C(F)(F)F)c1=O
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-7(6-3-1-2-4-6)5-15-16(14)9(8)17/h5-6H,1-4,14H2
InChIKeyLNXGYZRFAXCQSZ-UHFFFAOYSA-N
XLogP1.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one (CID 170173185) is 2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one is Nn1ncc(C2CCCC2)c(C(F)(F)F)c1=O.
What is the InChIKey of 2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is LNXGYZRFAXCQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-7(6-3-1-2-4-6)5-15-16(14)9(8)17/h5-6H,1-4,14H2.
What are the key properties of 2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one?
2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 247.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopentyl-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 170173185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).