3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol

C16H19F3N2O — CID 141064925

IUPAC3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol
SMILESCC1=C(O)C=C(c2ccc(C(F)(F)F)cc2)NN1CC(C)C
InChIInChI=1S/C16H19F3N2O/c1-10(2)9-21-11(3)15(22)8-14(20-21)12-4-6-13(7-5-12)16(17,18)19/h4-8,10,20,22H,9H2,1-3H3
InChIKeyRNWZVZIFGRGYCH-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.31
Rot. Bonds3

About 3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol

3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol (PubChem CID 141064925) has the molecular formula C16H19F3N2O and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol.

Molecular Properties

Compound Name3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol
PubChem CID141064925
Molecular FormulaC16H19F3N2O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol
SMILESCC1=C(O)C=C(c2ccc(C(F)(F)F)cc2)NN1CC(C)C
InChIInChI=1S/C16H19F3N2O/c1-10(2)9-21-11(3)15(22)8-14(20-21)12-4-6-13(7-5-12)16(17,18)19/h4-8,10,20,22H,9H2,1-3H3
InChIKeyRNWZVZIFGRGYCH-UHFFFAOYSA-N
XLogP4.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol?
The IUPAC name of 3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol (CID 141064925) is 3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol.
What is the SMILES notation for 3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol?
The canonical SMILES for 3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol is CC1=C(O)C=C(c2ccc(C(F)(F)F)cc2)NN1CC(C)C.
What is the InChIKey of 3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol?
The InChIKey is RNWZVZIFGRGYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-10(2)9-21-11(3)15(22)8-14(20-21)12-4-6-13(7-5-12)16(17,18)19/h4-8,10,20,22H,9H2,1-3H3.
What are the key properties of 3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol?
3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol has a molecular weight of 312.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol is sourced from PubChem (CID 141064925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).