7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C7H7ClN4S — CID 10512843

IUPAC7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCSc1nc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C7H7ClN4S/c1-4-3-5(8)12-6(9-4)10-7(11-12)13-2/h3H,1-2H3
InChIKeyQEFWPDVSBZHJOK-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.81
Rot. Bonds1

About 7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 10512843) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is 7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID10512843
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCSc1nc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C7H7ClN4S/c1-4-3-5(8)12-6(9-4)10-7(11-12)13-2/h3H,1-2H3
InChIKeyQEFWPDVSBZHJOK-UHFFFAOYSA-N
XLogP1.81
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 10512843) is 7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is CSc1nc2nc(C)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QEFWPDVSBZHJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4S/c1-4-3-5(8)12-6(9-4)10-7(11-12)13-2/h3H,1-2H3.
What are the key properties of 7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 214.68 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 10512843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).