1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline

C14H12F3N3 — CID 66788799

IUPAC1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
SMILESFC(F)(F)C1(c2cccnn2)NCCc2ccccc21
InChIInChI=1S/C14H12F3N3/c15-14(16,17)13(12-6-3-8-19-20-12)11-5-2-1-4-10(11)7-9-18-13/h1-6,8,18H,7,9H2
InChIKeyYFCPGAZZDYSMMD-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.43
Rot. Bonds1

About 1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline

1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline (PubChem CID 66788799) has the molecular formula C14H12F3N3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline.

Molecular Properties

Compound Name1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
PubChem CID66788799
Molecular FormulaC14H12F3N3
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
SMILESFC(F)(F)C1(c2cccnn2)NCCc2ccccc21
InChIInChI=1S/C14H12F3N3/c15-14(16,17)13(12-6-3-8-19-20-12)11-5-2-1-4-10(11)7-9-18-13/h1-6,8,18H,7,9H2
InChIKeyYFCPGAZZDYSMMD-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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-[4-(Trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 66788798
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-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?
The IUPAC name of 1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline (CID 66788799) is 1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline.
What is the SMILES notation for 1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?
The canonical SMILES for 1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline is FC(F)(F)C1(c2cccnn2)NCCc2ccccc21.
What is the InChIKey of 1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?
The InChIKey is YFCPGAZZDYSMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3/c15-14(16,17)13(12-6-3-8-19-20-12)11-5-2-1-4-10(11)7-9-18-13/h1-6,8,18H,7,9H2.
What are the key properties of 1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?
1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline has a molecular weight of 279.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline is sourced from PubChem (CID 66788799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).