3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C11H11FN4S — CID 82048179

IUPAC3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESFc1ccc(Cc2nnc3n2NCCS3)cc1
InChIInChI=1S/C11H11FN4S/c12-9-3-1-8(2-4-9)7-10-14-15-11-16(10)13-5-6-17-11/h1-4,13H,5-7H2
InChIKeyDYDGBYFBDTZSNX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.66
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 82048179) has the molecular formula C11H11FN4S and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID82048179
Molecular FormulaC11H11FN4S
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC Name3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESFc1ccc(Cc2nnc3n2NCCS3)cc1
InChIInChI=1S/C11H11FN4S/c12-9-3-1-8(2-4-9)7-10-14-15-11-16(10)13-5-6-17-11/h1-4,13H,5-7H2
InChIKeyDYDGBYFBDTZSNX-UHFFFAOYSA-N
XLogP1.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 82048179) is 3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Fc1ccc(Cc2nnc3n2NCCS3)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is DYDGBYFBDTZSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4S/c12-9-3-1-8(2-4-9)7-10-14-15-11-16(10)13-5-6-17-11/h1-4,13H,5-7H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 250.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 82048179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).