5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline

C16H10FN3 — CID 72700847

IUPAC5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline
SMILESFc1ccc(-c2cc3ccccc3c3cnnn23)cc1
InChIInChI=1S/C16H10FN3/c17-13-7-5-11(6-8-13)15-9-12-3-1-2-4-14(12)16-10-18-19-20(15)16/h1-10H
InChIKeySQXHORIPUZSJBE-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.69
Rot. Bonds1

About 5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline

5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline (PubChem CID 72700847) has the molecular formula C16H10FN3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline
PubChem CID72700847
Molecular FormulaC16H10FN3
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline
SMILESFc1ccc(-c2cc3ccccc3c3cnnn23)cc1
InChIInChI=1S/C16H10FN3/c17-13-7-5-11(6-8-13)15-9-12-3-1-2-4-14(12)16-10-18-19-20(15)16/h1-10H
InChIKeySQXHORIPUZSJBE-UHFFFAOYSA-N
XLogP3.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenylisoquinolino[2,1-b]isoquinolin-8-one
CID 164679594
2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine
CID 159255421
5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline
CID 71484660
5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile
CID 72735273
9-[2-(4-fluorophenyl)-4-pyridinyl]carbazole
CID 59546711
7-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 42640807
1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
CID 102433500
1,4-bis(4-fluorophenyl)benzo[g]phthalazine
CID 71420428
2-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylpyrazolo[5,1-a]isoquinoline
CID 164927923
5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
CID 71723863
5-(4-fluorophenyl)-3,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10,12,14-heptaene
CID 171780846
9-[6-carbazol-9-yl-9,10-bis(4-fluorophenyl)phenanthren-3-yl]carbazole
CID 88887940

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline?
The IUPAC name of 5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline (CID 72700847) is 5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline is Fc1ccc(-c2cc3ccccc3c3cnnn23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline?
The InChIKey is SQXHORIPUZSJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3/c17-13-7-5-11(6-8-13)15-9-12-3-1-2-4-14(12)16-10-18-19-20(15)16/h1-10H.
What are the key properties of 5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline?
5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline has a molecular weight of 263.28 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline is sourced from PubChem (CID 72700847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).