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

C8H7BrF3N3O — CID 106215114

IUPAC5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2(C(F)(F)F)CC2)c1Br
InChIInChI=1S/C8H7BrF3N3O/c9-5-4(3-13-15-6(5)16)14-7(1-2-7)8(10,11)12/h3H,1-2H2,(H2,14,15,16)
InChIKeyDAPOARTYDSPZND-UHFFFAOYSA-N
MW298.06 g/mol
LogP2.04
Rot. Bonds2

About 5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one

5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one (PubChem CID 106215114) has the molecular formula C8H7BrF3N3O and a molecular weight of 298.06 g/mol. Its IUPAC name is 5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one
PubChem CID106215114
Molecular FormulaC8H7BrF3N3O
Molecular Weight298.06 g/mol
Exact Mass296.97
IUPAC Name5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2(C(F)(F)F)CC2)c1Br
InChIInChI=1S/C8H7BrF3N3O/c9-5-4(3-13-15-6(5)16)14-7(1-2-7)8(10,11)12/h3H,1-2H2,(H2,14,15,16)
InChIKeyDAPOARTYDSPZND-UHFFFAOYSA-N
XLogP2.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one (CID 106215114) is 5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one is O=c1[nH]ncc(NC2(C(F)(F)F)CC2)c1Br.
What is the InChIKey of 5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one?
The InChIKey is DAPOARTYDSPZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N3O/c9-5-4(3-13-15-6(5)16)14-7(1-2-7)8(10,11)12/h3H,1-2H2,(H2,14,15,16).
What are the key properties of 5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one?
5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one has a molecular weight of 298.06 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 106215114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).