5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile

C11H6FN5 — CID 72735273

IUPAC5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile
SMILESN#Cc1c(N)n2nncc2c2ccc(F)cc12
InChIInChI=1S/C11H6FN5/c12-6-1-2-7-8(3-6)9(4-13)11(14)17-10(7)5-15-16-17/h1-3,5H,14H2
InChIKeySPMOCQWEZDHXRF-UHFFFAOYSA-N
MW227.20 g/mol
LogP1.48
Rot. Bonds

About 5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile

5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile (PubChem CID 72735273) has the molecular formula C11H6FN5 and a molecular weight of 227.20 g/mol. Its IUPAC name is 5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile.

Molecular Properties

Compound Name5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile
PubChem CID72735273
Molecular FormulaC11H6FN5
Molecular Weight227.20 g/mol
Exact Mass227.06
IUPAC Name5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile
SMILESN#Cc1c(N)n2nncc2c2ccc(F)cc12
InChIInChI=1S/C11H6FN5/c12-6-1-2-7-8(3-6)9(4-13)11(14)17-10(7)5-15-16-17/h1-3,5H,14H2
InChIKeySPMOCQWEZDHXRF-UHFFFAOYSA-N
XLogP1.48
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)triazolo[5,1-a]isoquinoline
CID 72700847
2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
CID 156877289
2-amino-5-fluorobenzonitrile
CID 2737704
5-amino-1-(6-fluoro-4-methylquinolin-2-yl)pyrazole-4-carbonitrile
CID 4738100
2,7-difluorocarbazol-9-amine
CID 155435291
2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole-6-carbonitrile
CID 70812252
1-amino-5-fluoroindole-3-carbonitrile
CID 68558682
5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile
CID 22310003
3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
2-amino-1-(4-fluoro-2-methylphenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 43159131
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822
5-fluoro-2-(triazol-1-yl)benzonitrile
CID 84661287

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile?
The IUPAC name of 5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile (CID 72735273) is 5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile.
What is the SMILES notation for 5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile?
The canonical SMILES for 5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile is N#Cc1c(N)n2nncc2c2ccc(F)cc12.
What is the InChIKey of 5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile?
The InChIKey is SPMOCQWEZDHXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN5/c12-6-1-2-7-8(3-6)9(4-13)11(14)17-10(7)5-15-16-17/h1-3,5H,14H2.
What are the key properties of 5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile?
5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile has a molecular weight of 227.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-fluorotriazolo[5,1-a]isoquinoline-6-carbonitrile is sourced from PubChem (CID 72735273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).