1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline

C14H12F3N3 — CID 66788798

IUPAC1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1ccnnc1C1NCCc2ccccc21
InChIInChI=1S/C14H12F3N3/c15-14(16,17)11-6-8-19-20-13(11)12-10-4-2-1-3-9(10)5-7-18-12/h1-4,6,8,12,18H,5,7H2
InChIKeyCMXFTJSZZVYDEN-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.73
Rot. Bonds1

About 1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline

1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66788798) has the molecular formula C14H12F3N3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID66788798
Molecular FormulaC14H12F3N3
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)c1ccnnc1C1NCCc2ccccc21
InChIInChI=1S/C14H12F3N3/c15-14(16,17)11-6-8-19-20-13(11)12-10-4-2-1-3-9(10)5-7-18-12/h1-4,6,8,12,18H,5,7H2
InChIKeyCMXFTJSZZVYDEN-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5h,6h,7h,8h-Pyrido[4,3-c]pyridazine
CID 19761172
4-(4-Methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 122197234
5-(2,4-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 16006646
3-[2-(2,2-Difluoroethenyl)phenyl]pyridazine
CID 59847983
1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
CID 66788799
5-(2,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963664
5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963710
5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964283
5-(3,4-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964342
5-(3,5-difluorophenyl)-6-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964433
5-(2,3-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964452
9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964504

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline (CID 66788798) is 1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)c1ccnnc1C1NCCc2ccccc21.
What is the InChIKey of 1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CMXFTJSZZVYDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3/c15-14(16,17)11-6-8-19-20-13(11)12-10-4-2-1-3-9(10)5-7-18-12/h1-4,6,8,12,18H,5,7H2.
What are the key properties of 1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 279.26 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66788798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).