5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C10H14N4S — CID 743368

IUPAC5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(SCC(C)C)n2ncnc2n1
InChIInChI=1S/C10H14N4S/c1-7(2)5-15-9-4-8(3)13-10-11-6-12-14(9)10/h4,6-7H,5H2,1-3H3
InChIKeyJNFQUODMJBRRQK-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.18
Rot. Bonds3

About 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 743368) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID743368
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(SCC(C)C)n2ncnc2n1
InChIInChI=1S/C10H14N4S/c1-7(2)5-15-9-4-8(3)13-10-11-6-12-14(9)10/h4,6-7H,5H2,1-3H3
InChIKeyJNFQUODMJBRRQK-UHFFFAOYSA-N
XLogP2.18
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 743368) is 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(SCC(C)C)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JNFQUODMJBRRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7(2)5-15-9-4-8(3)13-10-11-6-12-14(9)10/h4,6-7H,5H2,1-3H3.
What are the key properties of 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 222.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 743368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).