4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one

C8H8F3N3O — CID 106219695

IUPAC4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one
SMILESO=c1cc(NC2(C(F)(F)F)CC2)cn[nH]1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)7(1-2-7)13-5-3-6(15)14-12-4-5/h3-4H,1-2H2,(H2,13,14,15)
InChIKeyPTPNKYZIQUYIHX-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.28
Rot. Bonds2

About 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one

4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one (PubChem CID 106219695) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one
PubChem CID106219695
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one
SMILESO=c1cc(NC2(C(F)(F)F)CC2)cn[nH]1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)7(1-2-7)13-5-3-6(15)14-12-4-5/h3-4H,1-2H2,(H2,13,14,15)
InChIKeyPTPNKYZIQUYIHX-UHFFFAOYSA-N
XLogP1.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one (CID 106219695) is 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one is O=c1cc(NC2(C(F)(F)F)CC2)cn[nH]1.
What is the InChIKey of 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one?
The InChIKey is PTPNKYZIQUYIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)7(1-2-7)13-5-3-6(15)14-12-4-5/h3-4H,1-2H2,(H2,13,14,15).
What are the key properties of 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one?
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one has a molecular weight of 219.17 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 106219695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).