1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine

C8H13F3N2 — CID 155001342

IUPAC1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine
SMILESCC1C=CC(C(F)(F)F)N(C)N1C
InChIInChI=1S/C8H13F3N2/c1-6-4-5-7(8(9,10)11)13(3)12(6)2/h4-7H,1-3H3
InChIKeyOQTILLLUPPWNLB-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.65
Rot. Bonds

About 1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine

1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine (PubChem CID 155001342) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine.

Molecular Properties

Compound Name1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine
PubChem CID155001342
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine
SMILESCC1C=CC(C(F)(F)F)N(C)N1C
InChIInChI=1S/C8H13F3N2/c1-6-4-5-7(8(9,10)11)13(3)12(6)2/h4-7H,1-3H3
InChIKeyOQTILLLUPPWNLB-UHFFFAOYSA-N
XLogP1.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine?
The IUPAC name of 1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine (CID 155001342) is 1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine.
What is the SMILES notation for 1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine?
The canonical SMILES for 1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine is CC1C=CC(C(F)(F)F)N(C)N1C.
What is the InChIKey of 1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine?
The InChIKey is OQTILLLUPPWNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-6-4-5-7(8(9,10)11)13(3)12(6)2/h4-7H,1-3H3.
What are the key properties of 1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine?
1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine has a molecular weight of 194.20 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine is sourced from PubChem (CID 155001342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).