4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine

C12H17F3N2 — CID 171408429

IUPAC4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine
SMILESCc1c(C(C)C)nnc(C(C)C)c1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-6(2)10-8(5)9(12(13,14)15)11(7(3)4)17-16-10/h6-7H,1-5H3
InChIKeyCZRVLTHZFGTYQV-UHFFFAOYSA-N
MW246.28 g/mol
LogP4.05
Rot. Bonds2

About 4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine

4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine (PubChem CID 171408429) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine
PubChem CID171408429
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine
SMILESCc1c(C(C)C)nnc(C(C)C)c1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-6(2)10-8(5)9(12(13,14)15)11(7(3)4)17-16-10/h6-7H,1-5H3
InChIKeyCZRVLTHZFGTYQV-UHFFFAOYSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetramethylpyridazine
CID 12750033
4,5-Diazaindan, 6,7-dimethyl-
CID 58890735
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
Cinnoline, 5,6,7,8-tetrahydro-3,4-dimethyl-
CID 165339766
3,4-Pentamethylene-5,6,7,8-tetrahydrocinnoline
CID 165339889
(6Z,9Z)-1,4-bis(trifluoromethyl)-5,8-dihydrocycloocta[d]pyridazine
CID 11055486
3,4,5,6-Tetrakis(trifluoromethyl)pyridazine
CID 12633182
3-Propan-2-yl-6-(trifluoromethyl)pyridazine
CID 57821789
3-(6-Fluorohept-1-en-4-yl)-6-prop-2-enylpyridazine
CID 67659031
4-(1,1-Difluoroethyl)-3,6-dimethylpyridazine
CID 117864780

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine?
The IUPAC name of 4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine (CID 171408429) is 4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine is Cc1c(C(C)C)nnc(C(C)C)c1C(F)(F)F.
What is the InChIKey of 4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine?
The InChIKey is CZRVLTHZFGTYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-6(2)10-8(5)9(12(13,14)15)11(7(3)4)17-16-10/h6-7H,1-5H3.
What are the key properties of 4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine?
4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine has a molecular weight of 246.28 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 171408429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).