5-propan-2-yl-3-(trifluoromethyl)pyridazine

C8H9F3N2 — CID 118520438

IUPAC5-propan-2-yl-3-(trifluoromethyl)pyridazine
SMILESCC(C)c1cnnc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2/c1-5(2)6-3-7(8(9,10)11)13-12-4-6/h3-5H,1-2H3
InChIKeyXVPPRLSYIHUYGU-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.62
Rot. Bonds1

About 5-propan-2-yl-3-(trifluoromethyl)pyridazine

5-propan-2-yl-3-(trifluoromethyl)pyridazine (PubChem CID 118520438) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 5-propan-2-yl-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name5-propan-2-yl-3-(trifluoromethyl)pyridazine
PubChem CID118520438
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name5-propan-2-yl-3-(trifluoromethyl)pyridazine
SMILESCC(C)c1cnnc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2/c1-5(2)6-3-7(8(9,10)11)13-12-4-6/h3-5H,1-2H3
InChIKeyXVPPRLSYIHUYGU-UHFFFAOYSA-N
XLogP2.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-yl-3-(trifluoromethyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Phenylpyridazine
CID 193499
3-Methyl-5-phenylpyridazine
CID 2736934
3,4-Dimethylpyridazine
CID 12440095
3-(Trifluoromethyl)pyridazine
CID 20691951
3-Ethynyl-5-methylpyridazine
CID 131704162
3-Ethynyl-4-methylpyridazine
CID 146291001
2-Pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 15264928
2-(2-Fluorophenyl)-2-pyridazin-3-ylacetonitrile
CID 15637038
4-Methyl-3,6-bis(trifluoromethyl)pyridazine
CID 71374916
Pyridazine, 3-[3-(trifluoromethyl)phenyl]-
CID 10656742
Pyridazine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-
CID 10657542
3-(4-Fluorophenyl)pyridazine
CID 68649942

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)pyridazine?
The IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)pyridazine (CID 118520438) is 5-propan-2-yl-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 5-propan-2-yl-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 5-propan-2-yl-3-(trifluoromethyl)pyridazine is CC(C)c1cnnc(C(F)(F)F)c1.
What is the InChIKey of 5-propan-2-yl-3-(trifluoromethyl)pyridazine?
The InChIKey is XVPPRLSYIHUYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-5(2)6-3-7(8(9,10)11)13-12-4-6/h3-5H,1-2H3.
What are the key properties of 5-propan-2-yl-3-(trifluoromethyl)pyridazine?
5-propan-2-yl-3-(trifluoromethyl)pyridazine has a molecular weight of 190.17 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 118520438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).