3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine

C17H11F3N4S — CID 158929789

IUPAC3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine
SMILESCc1nc2c(C)c(-c3cc4ccccc4s3)nnc2nc1C(F)(F)F
InChIInChI=1S/C17H11F3N4S/c1-8-13(12-7-10-5-3-4-6-11(10)25-12)23-24-16-14(8)21-9(2)15(22-16)17(18,19)20/h3-7H,1-2H3
InChIKeyQQKVEFTZMNHBGZ-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.94
Rot. Bonds1

About 3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine

3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine (PubChem CID 158929789) has the molecular formula C17H11F3N4S and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine
PubChem CID158929789
Molecular FormulaC17H11F3N4S
Molecular Weight360.36 g/mol
Exact Mass360.07
IUPAC Name3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine
SMILESCc1nc2c(C)c(-c3cc4ccccc4s3)nnc2nc1C(F)(F)F
InChIInChI=1S/C17H11F3N4S/c1-8-13(12-7-10-5-3-4-6-11(10)25-12)23-24-16-14(8)21-9(2)15(22-16)17(18,19)20/h3-7H,1-2H3
InChIKeyQQKVEFTZMNHBGZ-UHFFFAOYSA-N
XLogP4.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline
CID 156629434
1-(1-benzothiophen-2-yl)-4-methyl-5-(trifluoromethyl)benzo[g]phthalazine
CID 155760256
1-(1-benzothiophen-2-yl)-4-[2-methyl-3,4,6-tris(trifluoromethyl)phenoxy]benzo[g]phthalazine
CID 157318003
4-(1-benzothiophen-2-yl)-5,10-difluoro-1-methylbenzo[g]phthalazine
CID 155760302
1-(1-benzothiophen-2-yl)-4,5-bis(trifluoromethyl)benzo[g]phthalazine
CID 155760230
1-(1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline
CID 156629457
1-(1-benzothiophen-2-yl)-4-propan-2-ylbenzo[g]phthalazine
CID 155760279
3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 61406979
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
2-(1-benzothiophen-2-yl)-4-methylquinoline
CID 71817881
2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
CID 158204466

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine (CID 158929789) is 3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine is Cc1nc2c(C)c(-c3cc4ccccc4s3)nnc2nc1C(F)(F)F.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine?
The InChIKey is QQKVEFTZMNHBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4S/c1-8-13(12-7-10-5-3-4-6-11(10)25-12)23-24-16-14(8)21-9(2)15(22-16)17(18,19)20/h3-7H,1-2H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine?
3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine has a molecular weight of 360.36 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine is sourced from PubChem (CID 158929789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).