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

C8H9F3N2 — CID 164557880

IUPAC3,4,6-trimethyl-5-(trifluoromethyl)pyridazine
SMILESCc1nnc(C)c(C(F)(F)F)c1C
InChIInChI=1S/C8H9F3N2/c1-4-5(2)12-13-6(3)7(4)8(9,10)11/h1-3H3
InChIKeyFIASFQFJQKIANP-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.42
Rot. Bonds

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

3,4,6-trimethyl-5-(trifluoromethyl)pyridazine (PubChem CID 164557880) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 3,4,6-trimethyl-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3,4,6-trimethyl-5-(trifluoromethyl)pyridazine
PubChem CID164557880
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name3,4,6-trimethyl-5-(trifluoromethyl)pyridazine
SMILESCc1nnc(C)c(C(F)(F)F)c1C
InChIInChI=1S/C8H9F3N2/c1-4-5(2)12-13-6(3)7(4)8(9,10)11/h1-3H3
InChIKeyFIASFQFJQKIANP-UHFFFAOYSA-N
XLogP2.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.42
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 3,4,6-trimethyl-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3,4,6-trimethyl-5-(trifluoromethyl)pyridazine (CID 164557880) is 3,4,6-trimethyl-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3,4,6-trimethyl-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3,4,6-trimethyl-5-(trifluoromethyl)pyridazine is Cc1nnc(C)c(C(F)(F)F)c1C.
What is the InChIKey of 3,4,6-trimethyl-5-(trifluoromethyl)pyridazine?
The InChIKey is FIASFQFJQKIANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-4-5(2)12-13-6(3)7(4)8(9,10)11/h1-3H3.
What are the key properties of 3,4,6-trimethyl-5-(trifluoromethyl)pyridazine?
3,4,6-trimethyl-5-(trifluoromethyl)pyridazine has a molecular weight of 190.17 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 164557880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).