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

C10H7FN4S — CID 943974

IUPAC8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
SMILESCn1c2ccc(F)cc2c2n[nH]c(=S)nc21
InChIInChI=1S/C10H7FN4S/c1-15-7-3-2-5(11)4-6(7)8-9(15)12-10(16)14-13-8/h2-4H,1H3,(H,12,14,16)
InChIKeyCSARNATZGBDJOJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.32
Rot. Bonds

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

8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione (PubChem CID 943974) has the molecular formula C10H7FN4S and a molecular weight of 234.26 g/mol. Its IUPAC name is 8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione.

Molecular Properties

Compound Name8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
PubChem CID943974
Molecular FormulaC10H7FN4S
Molecular Weight234.26 g/mol
Exact Mass234.04
IUPAC Name8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
SMILESCn1c2ccc(F)cc2c2n[nH]c(=S)nc21
InChIInChI=1S/C10H7FN4S/c1-15-7-3-2-5(11)4-6(7)8-9(15)12-10(16)14-13-8/h2-4H,1H3,(H,12,14,16)
InChIKeyCSARNATZGBDJOJ-UHFFFAOYSA-N
XLogP2.32
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione?
The IUPAC name of 8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione (CID 943974) is 8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
What is the SMILES notation for 8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione?
The canonical SMILES for 8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione is Cn1c2ccc(F)cc2c2n[nH]c(=S)nc21.
What is the InChIKey of 8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione?
The InChIKey is CSARNATZGBDJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4S/c1-15-7-3-2-5(11)4-6(7)8-9(15)12-10(16)14-13-8/h2-4H,1H3,(H,12,14,16).
What are the key properties of 8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione?
8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione has a molecular weight of 234.26 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione is sourced from PubChem (CID 943974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).