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

C10H9ClN6S — CID 65204132

IUPAC5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole
SMILESCC(C)c1nnsc1-c1nnc2cc(Cl)ncn12
InChIInChI=1S/C10H9ClN6S/c1-5(2)8-9(18-16-14-8)10-15-13-7-3-6(11)12-4-17(7)10/h3-5H,1-2H3
InChIKeyOKOPHGKIBZCVJB-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.42
Rot. Bonds2

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

5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole (PubChem CID 65204132) 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-propan-2-ylthiadiazole.

Molecular Properties

Compound Name5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole
PubChem CID65204132
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-propan-2-ylthiadiazole
SMILESCC(C)c1nnsc1-c1nnc2cc(Cl)ncn12
InChIInChI=1S/C10H9ClN6S/c1-5(2)8-9(18-16-14-8)10-15-13-7-3-6(11)12-4-17(7)10/h3-5H,1-2H3
InChIKeyOKOPHGKIBZCVJB-UHFFFAOYSA-N
XLogP2.42
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.42
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-propan-2-ylthiadiazole?
The IUPAC name of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole (CID 65204132) is 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole.
What is the SMILES notation for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole?
The canonical SMILES for 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole is CC(C)c1nnsc1-c1nnc2cc(Cl)ncn12.
What is the InChIKey of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole?
The InChIKey is OKOPHGKIBZCVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6S/c1-5(2)8-9(18-16-14-8)10-15-13-7-3-6(11)12-4-17(7)10/h3-5H,1-2H3.
What are the key properties of 5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole?
5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole has a molecular weight of 280.74 g/mol, XLogP of 2.42, 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-propan-2-ylthiadiazole is sourced from PubChem (CID 65204132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).