6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine

C12H19N5 — CID 116823684

IUPAC6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine
SMILESCc1nnc(C2CCC2)c(N2CCNCC2)n1
InChIInChI=1S/C12H19N5/c1-9-14-12(17-7-5-13-6-8-17)11(16-15-9)10-3-2-4-10/h10,13H,2-8H2,1H3
InChIKeyHGQMSTDIPFAJPT-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.86
Rot. Bonds2

About 6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine

6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine (PubChem CID 116823684) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine
PubChem CID116823684
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine
SMILESCc1nnc(C2CCC2)c(N2CCNCC2)n1
InChIInChI=1S/C12H19N5/c1-9-14-12(17-7-5-13-6-8-17)11(16-15-9)10-3-2-4-10/h10,13H,2-8H2,1H3
InChIKeyHGQMSTDIPFAJPT-UHFFFAOYSA-N
XLogP0.86
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine
CID 122625377
2-cyclopentyl-4,6-dimethyl-5-piperazin-1-ylpyrimidine
CID 117212544
3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine
CID 116824028
4-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117211014
4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
CID 117211621
4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
CID 117211662
2-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117212418
2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 84682986
2-tert-butyl-4-cyclobutyl-6-piperazin-1-ylpyrimidine
CID 66673390
6-methyl-5-piperazin-1-yl-1,2,4-triazine
CID 116823260
5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
CID 163866789
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
CID 116900754

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine?
The IUPAC name of 6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine (CID 116823684) is 6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine.
What is the SMILES notation for 6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine?
The canonical SMILES for 6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine is Cc1nnc(C2CCC2)c(N2CCNCC2)n1.
What is the InChIKey of 6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine?
The InChIKey is HGQMSTDIPFAJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9-14-12(17-7-5-13-6-8-17)11(16-15-9)10-3-2-4-10/h10,13H,2-8H2,1H3.
What are the key properties of 6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine?
6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine has a molecular weight of 233.32 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-methyl-5-piperazin-1-yl-1,2,4-triazine is sourced from PubChem (CID 116823684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).