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

C10H9ClN6S — CID 65209846

IUPAC5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole
SMILESCCCc1nnsc1-c1nnc2cc(Cl)ncn12
InChIInChI=1S/C10H9ClN6S/c1-2-3-6-9(18-16-13-6)10-15-14-8-4-7(11)12-5-17(8)10/h4-5H,2-3H2,1H3
InChIKeyWOZQNIPNQZITCL-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.25
Rot. Bonds3

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

5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole (PubChem CID 65209846) has the molecular formula C10H9ClN6S and a molecular weight of 280.74 g/mol. Its IUPAC name is 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole.

Molecular Properties

Compound Name5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole
PubChem CID65209846
Molecular FormulaC10H9ClN6S
Molecular Weight280.74 g/mol
Exact Mass280.03
IUPAC Name5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole
SMILESCCCc1nnsc1-c1nnc2cc(Cl)ncn12
InChIInChI=1S/C10H9ClN6S/c1-2-3-6-9(18-16-13-6)10-15-14-8-4-7(11)12-5-17(8)10/h4-5H,2-3H2,1H3
InChIKeyWOZQNIPNQZITCL-UHFFFAOYSA-N
XLogP2.25
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.25
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-propylthiadiazole?
The IUPAC name of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole (CID 65209846) is 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole.
What is the SMILES notation for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole?
The canonical SMILES for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole is CCCc1nnsc1-c1nnc2cc(Cl)ncn12.
What is the InChIKey of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole?
The InChIKey is WOZQNIPNQZITCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6S/c1-2-3-6-9(18-16-13-6)10-15-14-8-4-7(11)12-5-17(8)10/h4-5H,2-3H2,1H3.
What are the key properties of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole?
5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole has a molecular weight of 280.74 g/mol, XLogP of 2.25, 3 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-propylthiadiazole is sourced from PubChem (CID 65209846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).