5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride

C12H21Cl3N6 — CID 132899139

IUPAC5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride
SMILESCc1cc(C)n2nc(CN3CCNCC3)nc2n1.Cl.Cl.Cl
InChIInChI=1S/C12H18N6.3ClH/c1-9-7-10(2)18-12(14-9)15-11(16-18)8-17-5-3-13-4-6-17;;;/h7,13H,3-6,8H2,1-2H3;3*1H
InChIKeyWGWCIKVBARBFDW-UHFFFAOYSA-N
MW355.70 g/mol
LogP1.41
Rot. Bonds2

About 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride

5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride (PubChem CID 132899139) has the molecular formula C12H21Cl3N6 and a molecular weight of 355.70 g/mol. Its IUPAC name is 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride.

Molecular Properties

Compound Name5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride
PubChem CID132899139
Molecular FormulaC12H21Cl3N6
Molecular Weight355.70 g/mol
Exact Mass354.09
IUPAC Name5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride
SMILESCc1cc(C)n2nc(CN3CCNCC3)nc2n1.Cl.Cl.Cl
InChIInChI=1S/C12H18N6.3ClH/c1-9-7-10(2)18-12(14-9)15-11(16-18)8-17-5-3-13-4-6-17;;;/h7,13H,3-6,8H2,1-2H3;3*1H
InChIKeyWGWCIKVBARBFDW-UHFFFAOYSA-N
XLogP1.41
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride with MolForge

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Related Compounds

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine;dihydrochloride
CID 146050004
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
CID 82468858
5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202378
4-methyl-6-(piperazin-1-ylmethyl)pyrimidin-2-amine
CID 82507434
5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202344
4-methyl-2-(piperazin-1-ylmethyl)pyrimidine
CID 63343078
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989716
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202333
7-(azepan-1-yl)-5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202439
4,6-dimethyl-2-(2-piperazin-1-ylethyl)pyrimidine
CID 82472710
4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 53202358

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride?
The IUPAC name of 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride (CID 132899139) is 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride.
What is the SMILES notation for 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride?
The canonical SMILES for 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride is Cc1cc(C)n2nc(CN3CCNCC3)nc2n1.Cl.Cl.Cl.
What is the InChIKey of 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride?
The InChIKey is WGWCIKVBARBFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6.3ClH/c1-9-7-10(2)18-12(14-9)15-11(16-18)8-17-5-3-13-4-6-17;;;/h7,13H,3-6,8H2,1-2H3;3*1H.
What are the key properties of 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride?
5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride has a molecular weight of 355.70 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride is sourced from PubChem (CID 132899139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).