3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C15H10FN5S — CID 11771327

IUPAC3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESFc1ccc(Cc2nnc3ncc(-c4cccs4)nn23)cc1
InChIInChI=1S/C15H10FN5S/c16-11-5-3-10(4-6-11)8-14-18-19-15-17-9-12(20-21(14)15)13-2-1-7-22-13/h1-7,9H,8H2
InChIKeyWAHPXBKOUZHWJT-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.98
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 11771327) has the molecular formula C15H10FN5S and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID11771327
Molecular FormulaC15H10FN5S
Molecular Weight311.35 g/mol
Exact Mass311.06
IUPAC Name3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESFc1ccc(Cc2nnc3ncc(-c4cccs4)nn23)cc1
InChIInChI=1S/C15H10FN5S/c16-11-5-3-10(4-6-11)8-14-18-19-15-17-9-12(20-21(14)15)13-2-1-7-22-13/h1-7,9H,8H2
InChIKeyWAHPXBKOUZHWJT-UHFFFAOYSA-N
XLogP2.98
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 11771327) is 3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Fc1ccc(Cc2nnc3ncc(-c4cccs4)nn23)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is WAHPXBKOUZHWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5S/c16-11-5-3-10(4-6-11)8-14-18-19-15-17-9-12(20-21(14)15)13-2-1-7-22-13/h1-7,9H,8H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 311.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 11771327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).