8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C17H20N8 — CID 166605294

IUPAC8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1nc(C2CCC2)cc(N2CCN(c3nccn4cnnc34)CC2)n1
InChIInChI=1S/C17H20N8/c1-2-13(3-1)14-10-15(20-11-19-14)23-6-8-24(9-7-23)16-17-22-21-12-25(17)5-4-18-16/h4-5,10-13H,1-3,6-9H2
InChIKeyRPKFJOGVDDYEHH-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.51
Rot. Bonds3

About 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 166605294) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID166605294
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1nc(C2CCC2)cc(N2CCN(c3nccn4cnnc34)CC2)n1
InChIInChI=1S/C17H20N8/c1-2-13(3-1)14-10-15(20-11-19-14)23-6-8-24(9-7-23)16-17-22-21-12-25(17)5-4-18-16/h4-5,10-13H,1-3,6-9H2
InChIKeyRPKFJOGVDDYEHH-UHFFFAOYSA-N
XLogP1.51
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
8-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 175650407
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline
CID 166605547
8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605117
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
CID 154853625
6-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-7H-purine
CID 166605581
2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 163348144
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139023196
4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
CID 166602994
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677

Frequently Asked Questions

What is the IUPAC name of 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 166605294) is 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is c1nc(C2CCC2)cc(N2CCN(c3nccn4cnnc34)CC2)n1.
What is the InChIKey of 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RPKFJOGVDDYEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-2-13(3-1)14-10-15(20-11-19-14)23-6-8-24(9-7-23)16-17-22-21-12-25(17)5-4-18-16/h4-5,10-13H,1-3,6-9H2.
What are the key properties of 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 336.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 166605294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).