5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C16H20N8S — CID 163344393

IUPAC5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCSc1ncc(C)c(N2CCN(c3cc(C)nc4ncnn34)CC2)n1
InChIInChI=1S/C16H20N8S/c1-11-9-17-16(25-3)21-14(11)23-6-4-22(5-7-23)13-8-12(2)20-15-18-10-19-24(13)15/h8-10H,4-7H2,1-3H3
InChIKeyDQQXGFZDUWAMHH-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.58
Rot. Bonds3

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

5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 163344393) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is 5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID163344393
Molecular FormulaC16H20N8S
Molecular Weight356.46 g/mol
Exact Mass356.15
IUPAC Name5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCSc1ncc(C)c(N2CCN(c3cc(C)nc4ncnn34)CC2)n1
InChIInChI=1S/C16H20N8S/c1-11-9-17-16(25-3)21-14(11)23-6-4-22(5-7-23)13-8-12(2)20-15-18-10-19-24(13)15/h8-10H,4-7H2,1-3H3
InChIKeyDQQXGFZDUWAMHH-UHFFFAOYSA-N
XLogP1.58
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
6-methyl-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133409059
7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6484700
7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163345037
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600
7-(1,4-diazepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43517134
7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155976320
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782
5-methyl-7-(4-propan-2-ylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163347886
4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine
CID 155798706
7-[4-(2-chlorophenyl)-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122154137

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 163344393) is 5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is CSc1ncc(C)c(N2CCN(c3cc(C)nc4ncnn34)CC2)n1.
What is the InChIKey of 5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DQQXGFZDUWAMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8S/c1-11-9-17-16(25-3)21-14(11)23-6-4-22(5-7-23)13-8-12(2)20-15-18-10-19-24(13)15/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 356.46 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163344393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).