4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

C11H14F3N3O — CID 170053685

IUPAC4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-8(6-15-17-10(9)18)16-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,16,17,18)
InChIKeyYYZUKPGBPJAZFV-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.53
Rot. Bonds2

About 4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 170053685) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID170053685
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-8(6-15-17-10(9)18)16-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,16,17,18)
InChIKeyYYZUKPGBPJAZFV-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 170053685) is 4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is O=c1[nH]ncc(NC2CCCCC2)c1C(F)(F)F.
What is the InChIKey of 4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is YYZUKPGBPJAZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-8(6-15-17-10(9)18)16-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,16,17,18).
What are the key properties of 4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 261.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 170053685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).