[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol

C11H9ClN4OS — CID 713140

IUPAC[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol
SMILESOCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2
InChIInChI=1S/C11H9ClN4OS/c12-8-3-1-7(2-4-8)9-6-18-11-14-13-10(5-17)16(11)15-9/h1-4,17H,5-6H2
InChIKeyKHZOQILVWCGYJV-UHFFFAOYSA-N
MW280.74 g/mol
LogP1.78
Rot. Bonds2

About [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol

[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol (PubChem CID 713140) has the molecular formula C11H9ClN4OS and a molecular weight of 280.74 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol
PubChem CID713140
Molecular FormulaC11H9ClN4OS
Molecular Weight280.74 g/mol
Exact Mass280.02
IUPAC Name[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol
SMILESOCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2
InChIInChI=1S/C11H9ClN4OS/c12-8-3-1-7(2-4-8)9-6-18-11-14-13-10(5-17)16(11)15-9/h1-4,17H,5-6H2
InChIKeyKHZOQILVWCGYJV-UHFFFAOYSA-N
XLogP1.78
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol?
The IUPAC name of [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol (CID 713140) is [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol.
What is the SMILES notation for [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol?
The canonical SMILES for [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol is OCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2.
What is the InChIKey of [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol?
The InChIKey is KHZOQILVWCGYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4OS/c12-8-3-1-7(2-4-8)9-6-18-11-14-13-10(5-17)16(11)15-9/h1-4,17H,5-6H2.
What are the key properties of [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol?
[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol has a molecular weight of 280.74 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol is sourced from PubChem (CID 713140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).