5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole

C8H5ClN6S — CID 65198839

IUPAC5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole
SMILESCc1nnsc1-c1nnc2cc(Cl)ncn12
InChIInChI=1S/C8H5ClN6S/c1-4-7(16-14-11-4)8-13-12-6-2-5(9)10-3-15(6)8/h2-3H,1H3
InChIKeyZUZTXKSSXGXTRI-UHFFFAOYSA-N
MW252.69 g/mol
LogP1.60
Rot. Bonds1

About 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole

5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole (PubChem CID 65198839) has the molecular formula C8H5ClN6S and a molecular weight of 252.69 g/mol. Its IUPAC name is 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole.

Molecular Properties

Compound Name5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole
PubChem CID65198839
Molecular FormulaC8H5ClN6S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole
SMILESCc1nnsc1-c1nnc2cc(Cl)ncn12
InChIInChI=1S/C8H5ClN6S/c1-4-7(16-14-11-4)8-13-12-6-2-5(9)10-3-15(6)8/h2-3H,1H3
InChIKeyZUZTXKSSXGXTRI-UHFFFAOYSA-N
XLogP1.60
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole?
The IUPAC name of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole (CID 65198839) is 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole.
What is the SMILES notation for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole?
The canonical SMILES for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole is Cc1nnsc1-c1nnc2cc(Cl)ncn12.
What is the InChIKey of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole?
The InChIKey is ZUZTXKSSXGXTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN6S/c1-4-7(16-14-11-4)8-13-12-6-2-5(9)10-3-15(6)8/h2-3H,1H3.
What are the key properties of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole?
5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole has a molecular weight of 252.69 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole is sourced from PubChem (CID 65198839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).