5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H18N4S — CID 755823

IUPAC5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(SCC(C)C)nn2c(C)c1C
InChIInChI=1S/C12H18N4S/c1-7(2)6-17-12-14-11-13-9(4)8(3)10(5)16(11)15-12/h7H,6H2,1-5H3
InChIKeyJUKZUGMBCMCKHY-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.80
Rot. Bonds3

About 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 755823) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID755823
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(SCC(C)C)nn2c(C)c1C
InChIInChI=1S/C12H18N4S/c1-7(2)6-17-12-14-11-13-9(4)8(3)10(5)16(11)15-12/h7H,6H2,1-5H3
InChIKeyJUKZUGMBCMCKHY-UHFFFAOYSA-N
XLogP2.80
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 755823) is 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(SCC(C)C)nn2c(C)c1C.
What is the InChIKey of 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JUKZUGMBCMCKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-7(2)6-17-12-14-11-13-9(4)8(3)10(5)16(11)15-12/h7H,6H2,1-5H3.
What are the key properties of 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 250.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 755823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).