ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine

C10H15F3N2 — CID 164557879

IUPACethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine
SMILESCC.Cc1nnc(C)c(C(F)(F)F)c1C
InChIInChI=1S/C8H9F3N2.C2H6/c1-4-5(2)12-13-6(3)7(4)8(9,10)11;1-2/h1-3H3;1-2H3
InChIKeyRCSSJGNILHFCAE-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.45
Rot. Bonds

About ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine

ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine (PubChem CID 164557879) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Nameethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine
PubChem CID164557879
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Nameethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine
SMILESCC.Cc1nnc(C)c(C(F)(F)F)c1C
InChIInChI=1S/C8H9F3N2.C2H6/c1-4-5(2)12-13-6(3)7(4)8(9,10)11;1-2/h1-3H3;1-2H3
InChIKeyRCSSJGNILHFCAE-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-3,6-bis(trifluoromethyl)pyridazine
CID 71374916
Pyridazine, 3,4,6-trimethyl-
CID 12440100
Tetramethylpyridazine
CID 12750033
4,5-Diazaindan, 6,7-dimethyl-
CID 58890735
Pyridazine, 4-ethyl-3,6-dimethyl-
CID 143818473
1,4-Dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 90182986
(5Z)-1,4-bis(trifluoromethyl)-7,8,9,10-tetrahydrocycloocta[d]pyridazine
CID 10803855
Perfluoro(3,5-diisopropylpyridazine)
CID 12696948
3,6-Bis(trifluoromethyl)-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5,9,11-pentaene
CID 15665407
[3,6-Bis(trifluoromethyl)-5-trimethylstannylpyridazin-4-yl]-trimethylstannane
CID 21731571
Cinnoline, 5,6,7,8-tetrahydro-3,4-dimethyl-
CID 165339766
(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine
CID 11055486

Frequently Asked Questions

What is the IUPAC name of ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine?
The IUPAC name of ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine (CID 164557879) is ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine?
The canonical SMILES for ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine is CC.Cc1nnc(C)c(C(F)(F)F)c1C.
What is the InChIKey of ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine?
The InChIKey is RCSSJGNILHFCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.C2H6/c1-4-5(2)12-13-6(3)7(4)8(9,10)11;1-2/h1-3H3;1-2H3.
What are the key properties of ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine?
ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine has a molecular weight of 220.24 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,6-trimethyl-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 164557879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).