8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione

C9H5FN4S — CID 135450723

IUPAC8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
SMILESFc1ccc2[nH]c3nc(=S)[nH]nc3c2c1
InChIInChI=1S/C9H5FN4S/c10-4-1-2-6-5(3-4)7-8(11-6)12-9(15)14-13-7/h1-3H,(H2,11,12,14,15)
InChIKeyIZYMSMZCQKQKLB-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.31
Rot. Bonds

About 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione

8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione (PubChem CID 135450723) has the molecular formula C9H5FN4S and a molecular weight of 220.23 g/mol. Its IUPAC name is 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione.

Molecular Properties

Compound Name8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
PubChem CID135450723
Molecular FormulaC9H5FN4S
Molecular Weight220.23 g/mol
Exact Mass220.02
IUPAC Name8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
SMILESFc1ccc2[nH]c3nc(=S)[nH]nc3c2c1
InChIInChI=1S/C9H5FN4S/c10-4-1-2-6-5(3-4)7-8(11-6)12-9(15)14-13-7/h1-3H,(H2,11,12,14,15)
InChIKeyIZYMSMZCQKQKLB-UHFFFAOYSA-N
XLogP2.31
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione with MolForge

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Related Compounds

5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol
CID 685094
5-ethyl-8-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
CID 718205
5H-[1,2,4]Triazino[5,6-b]indole-3-thiol
CID 135403808
8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CID 941673
8-Bromo-2,3-dihydro-5H-AS-triazino(5,6-B)indole-3-thione
CID 135401551
5-Methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ol
CID 776913
5-Allyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CID 685093
2,5-Dihydro-5-(2-phenylethyl)-3H-1,2,4-triazino[5,6-b]indole-3-thione
CID 700555
9-(2-Diethylamino-ethyl)-9H-1,3,4,9-tetraaza-fluorene-2-thiol
CID 937851
8-Methyl-5-propyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CID 941411
5-ethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CID 752131
5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CID 695347

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione?
The IUPAC name of 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione (CID 135450723) is 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione.
What is the SMILES notation for 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione?
The canonical SMILES for 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione is Fc1ccc2[nH]c3nc(=S)[nH]nc3c2c1.
What is the InChIKey of 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione?
The InChIKey is IZYMSMZCQKQKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN4S/c10-4-1-2-6-5(3-4)7-8(11-6)12-9(15)14-13-7/h1-3H,(H2,11,12,14,15).
What are the key properties of 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione?
8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione has a molecular weight of 220.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione is sourced from PubChem (CID 135450723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).