7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H20N10 — CID 163345037

IUPAC7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCn1cnc2c(N3CCN(c4cc(C)nc5ncnn45)CC3)ncnc21
InChIInChI=1S/C17H20N10/c1-3-24-11-21-14-15(24)18-9-19-16(14)26-6-4-25(5-7-26)13-8-12(2)23-17-20-10-22-27(13)17/h8-11H,3-7H2,1-2H3
InChIKeyHACZHTSOVDQRRN-UHFFFAOYSA-N
MW364.42 g/mol
LogP0.92
Rot. Bonds3

About 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 163345037) has the molecular formula C17H20N10 and a molecular weight of 364.42 g/mol. Its IUPAC name is 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID163345037
Molecular FormulaC17H20N10
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCn1cnc2c(N3CCN(c4cc(C)nc5ncnn45)CC3)ncnc21
InChIInChI=1S/C17H20N10/c1-3-24-11-21-14-15(24)18-9-19-16(14)26-6-4-25(5-7-26)13-8-12(2)23-17-20-10-22-27(13)17/h8-11H,3-7H2,1-2H3
InChIKeyHACZHTSOVDQRRN-UHFFFAOYSA-N
XLogP0.92
TPSA93.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600
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
5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163344393
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
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
6-bromo-2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1,3-benzothiazole
CID 155981269
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 78870337
7-(1,4-diazepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43517134
N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
CID 125445595

Frequently Asked Questions

What is the IUPAC name of 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 163345037) is 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCn1cnc2c(N3CCN(c4cc(C)nc5ncnn45)CC3)ncnc21.
What is the InChIKey of 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HACZHTSOVDQRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N10/c1-3-24-11-21-14-15(24)18-9-19-16(14)26-6-4-25(5-7-26)13-8-12(2)23-17-20-10-22-27(13)17/h8-11H,3-7H2,1-2H3.
What are the key properties of 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 364.42 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163345037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).