methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine

C15H14F3N3O — CID 160912434

IUPACmethane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine
SMILESC.Cc1cc(OC(F)(F)F)ccc1-c1cnn2cncc2c1
InChIInChI=1S/C14H10F3N3O.CH4/c1-9-4-12(21-14(15,16)17)2-3-13(9)10-5-11-7-18-8-20(11)19-6-10;/h2-8H,1H3;1H4
InChIKeySQYVGPYCSUBPJW-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.24
Rot. Bonds2

About methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine

methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine (PubChem CID 160912434) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine.

Molecular Properties

Compound Namemethane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine
PubChem CID160912434
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Namemethane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine
SMILESC.Cc1cc(OC(F)(F)F)ccc1-c1cnn2cncc2c1
InChIInChI=1S/C14H10F3N3O.CH4/c1-9-4-12(21-14(15,16)17)2-3-13(9)10-5-11-7-18-8-20(11)19-6-10;/h2-8H,1H3;1H4
InChIKeySQYVGPYCSUBPJW-UHFFFAOYSA-N
XLogP4.24
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine
CID 160502176
5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-b]pyridazine
CID 134541735
3-(1,1-difluoroethyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine
CID 142362562
3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 142362632
N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 134559785
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 134543915
1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
CID 134543652
[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol
CID 166351969
1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 134354899
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 134543465
amino 3-[5-[2-methyl-4-(trifluoromethoxy)phenyl]pyridazin-3-yl]propanoate
CID 155645798

Frequently Asked Questions

What is the IUPAC name of methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine?
The IUPAC name of methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine (CID 160912434) is methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine.
What is the SMILES notation for methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine?
The canonical SMILES for methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine is C.Cc1cc(OC(F)(F)F)ccc1-c1cnn2cncc2c1.
What is the InChIKey of methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine?
The InChIKey is SQYVGPYCSUBPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O.CH4/c1-9-4-12(21-14(15,16)17)2-3-13(9)10-5-11-7-18-8-20(11)19-6-10;/h2-8H,1H3;1H4.
What are the key properties of methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine?
methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine has a molecular weight of 309.29 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-b]pyridazine is sourced from PubChem (CID 160912434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).