6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one

C15H19F3N2O2 — CID 56819802

IUPAC6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(C(F)(F)F)cc(C2CC2)nn1CC1(O)CCCCC1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)11-8-12(10-4-5-10)19-20(13(11)21)9-14(22)6-2-1-3-7-14/h8,10,22H,1-7,9H2
InChIKeyDGMUREYMAGLNIJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.83
Rot. Bonds3

About 6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one

6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 56819802) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
PubChem CID56819802
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(C(F)(F)F)cc(C2CC2)nn1CC1(O)CCCCC1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)11-8-12(10-4-5-10)19-20(13(11)21)9-14(22)6-2-1-3-7-14/h8,10,22H,1-7,9H2
InChIKeyDGMUREYMAGLNIJ-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one (CID 56819802) is 6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one is O=c1c(C(F)(F)F)cc(C2CC2)nn1CC1(O)CCCCC1.
What is the InChIKey of 6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is DGMUREYMAGLNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)11-8-12(10-4-5-10)19-20(13(11)21)9-14(22)6-2-1-3-7-14/h8,10,22H,1-7,9H2.
What are the key properties of 6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 316.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 56819802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).