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

C11H11ClN6S — CID 65425933

IUPAC5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole
SMILESCc1nc(Cl)cc2nnc(-c3snnc3C(C)C)n12
InChIInChI=1S/C11H11ClN6S/c1-5(2)9-10(19-17-15-9)11-16-14-8-4-7(12)13-6(3)18(8)11/h4-5H,1-3H3
InChIKeyIMCIJLWTSKQYRC-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.73
Rot. Bonds2

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

5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole (PubChem CID 65425933) has the molecular formula C11H11ClN6S and a molecular weight of 294.77 g/mol. Its IUPAC name is 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole.

Molecular Properties

Compound Name5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole
PubChem CID65425933
Molecular FormulaC11H11ClN6S
Molecular Weight294.77 g/mol
Exact Mass294.05
IUPAC Name5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole
SMILESCc1nc(Cl)cc2nnc(-c3snnc3C(C)C)n12
InChIInChI=1S/C11H11ClN6S/c1-5(2)9-10(19-17-15-9)11-16-14-8-4-7(12)13-6(3)18(8)11/h4-5H,1-3H3
InChIKeyIMCIJLWTSKQYRC-UHFFFAOYSA-N
XLogP2.73
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole?
The IUPAC name of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole (CID 65425933) is 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole.
What is the SMILES notation for 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole?
The canonical SMILES for 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole is Cc1nc(Cl)cc2nnc(-c3snnc3C(C)C)n12.
What is the InChIKey of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole?
The InChIKey is IMCIJLWTSKQYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6S/c1-5(2)9-10(19-17-15-9)11-16-14-8-4-7(12)13-6(3)18(8)11/h4-5H,1-3H3.
What are the key properties of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole?
5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole has a molecular weight of 294.77 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole is sourced from PubChem (CID 65425933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).