5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H13N5OS — CID 94672065

IUPAC5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(N3CCSCC3)nc2n1
InChIInChI=1S/C10H13N5OS/c1-7-6-8(16)15-9(11-7)12-10(13-15)14-2-4-17-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyOFHPTFQMXYWCBO-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.28
Rot. Bonds1

About 5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 94672065) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID94672065
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(N3CCSCC3)nc2n1
InChIInChI=1S/C10H13N5OS/c1-7-6-8(16)15-9(11-7)12-10(13-15)14-2-4-17-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyOFHPTFQMXYWCBO-UHFFFAOYSA-N
XLogP0.28
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-(4-methylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547519
[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-methyl-2-[(1-methylethyl)thio]-
CID 10814033
5-(methylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 13750166
5-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylsulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 59476766
2-amino-5-(methylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 47458760
2-(piperidin-1-yl)-5-(sulfanylmethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 50928566
5-(2-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66218445
5-(3-aminopropylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66219330
5-[(3-amino-2-methylpropyl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66224253
5-(2-aminobutylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66230324
5-(4-aminobutan-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66230927
5-(3-aminobutylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66232342

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 94672065) is 5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(N3CCSCC3)nc2n1.
What is the InChIKey of 5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OFHPTFQMXYWCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7-6-8(16)15-9(11-7)12-10(13-15)14-2-4-17-5-3-14/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 251.31 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 94672065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).