1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine

C11H9ClN6S — CID 79508205

IUPAC1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(-c2c(Cl)ccc3nsnc23)c1C1CC1
InChIInChI=1S/C11H9ClN6S/c12-6-3-4-7-8(16-19-15-7)10(6)18-9(5-1-2-5)11(13)14-17-18/h3-5H,1-2,13H2
InChIKeyGSDCRYLRGWRAMY-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.38
Rot. Bonds2

About 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine

1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine (PubChem CID 79508205) has the molecular formula C11H9ClN6S and a molecular weight of 292.75 g/mol. Its IUPAC name is 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine.

Molecular Properties

Compound Name1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine
PubChem CID79508205
Molecular FormulaC11H9ClN6S
Molecular Weight292.75 g/mol
Exact Mass292.03
IUPAC Name1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(-c2c(Cl)ccc3nsnc23)c1C1CC1
InChIInChI=1S/C11H9ClN6S/c12-6-3-4-7-8(16-19-15-7)10(6)18-9(5-1-2-5)11(13)14-17-18/h3-5H,1-2,13H2
InChIKeyGSDCRYLRGWRAMY-UHFFFAOYSA-N
XLogP2.38
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine?
The IUPAC name of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine (CID 79508205) is 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine.
What is the SMILES notation for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine?
The canonical SMILES for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine is Nc1nnn(-c2c(Cl)ccc3nsnc23)c1C1CC1.
What is the InChIKey of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine?
The InChIKey is GSDCRYLRGWRAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6S/c12-6-3-4-7-8(16-19-15-7)10(6)18-9(5-1-2-5)11(13)14-17-18/h3-5H,1-2,13H2.
What are the key properties of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine?
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine has a molecular weight of 292.75 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-cyclopropyltriazol-4-amine is sourced from PubChem (CID 79508205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).