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

C9H7ClN6S — CID 65210602

IUPAC5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole
SMILESCCc1nnsc1-c1nnc2cc(Cl)ncn12
InChIInChI=1S/C9H7ClN6S/c1-2-5-8(17-15-12-5)9-14-13-7-3-6(10)11-4-16(7)9/h3-4H,2H2,1H3
InChIKeyDKTGSLRRXJAHFW-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.86
Rot. Bonds2

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

5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole (PubChem CID 65210602) has the molecular formula C9H7ClN6S and a molecular weight of 266.72 g/mol. Its IUPAC name is 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole.

Molecular Properties

Compound Name5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole
PubChem CID65210602
Molecular FormulaC9H7ClN6S
Molecular Weight266.72 g/mol
Exact Mass266.01
IUPAC Name5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole
SMILESCCc1nnsc1-c1nnc2cc(Cl)ncn12
InChIInChI=1S/C9H7ClN6S/c1-2-5-8(17-15-12-5)9-14-13-7-3-6(10)11-4-16(7)9/h3-4H,2H2,1H3
InChIKeyDKTGSLRRXJAHFW-UHFFFAOYSA-N
XLogP1.86
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.86
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-ethylthiadiazole?
The IUPAC name of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole (CID 65210602) is 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole.
What is the SMILES notation for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole?
The canonical SMILES for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole is CCc1nnsc1-c1nnc2cc(Cl)ncn12.
What is the InChIKey of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole?
The InChIKey is DKTGSLRRXJAHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6S/c1-2-5-8(17-15-12-5)9-14-13-7-3-6(10)11-4-16(7)9/h3-4H,2H2,1H3.
What are the key properties of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole?
5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole has a molecular weight of 266.72 g/mol, XLogP of 1.86, 2 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-ethylthiadiazole is sourced from PubChem (CID 65210602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).