[3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol

C9H8F3N5O — CID 157046480

IUPAC[3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(C(F)(F)F)nn2)c1CO
InChIInChI=1S/C9H8F3N5O/c1-17-6(4-18)8(15-16-17)5-2-3-7(14-13-5)9(10,11)12/h2-3,18H,4H2,1H3
InChIKeyMYYREQIHQBVTSY-UHFFFAOYSA-N
MW259.19 g/mol
LogP0.78
Rot. Bonds2

About [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol

[3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol (PubChem CID 157046480) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol
PubChem CID157046480
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name[3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(C(F)(F)F)nn2)c1CO
InChIInChI=1S/C9H8F3N5O/c1-17-6(4-18)8(15-16-17)5-2-3-7(14-13-5)9(10,11)12/h2-3,18H,4H2,1H3
InChIKeyMYYREQIHQBVTSY-UHFFFAOYSA-N
XLogP0.78
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol 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 [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol?
The IUPAC name of [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol (CID 157046480) is [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol is Cn1nnc(-c2ccc(C(F)(F)F)nn2)c1CO.
What is the InChIKey of [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol?
The InChIKey is MYYREQIHQBVTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c1-17-6(4-18)8(15-16-17)5-2-3-7(14-13-5)9(10,11)12/h2-3,18H,4H2,1H3.
What are the key properties of [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol?
[3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol has a molecular weight of 259.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 157046480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).