2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine

C12H21N5 — CID 82476264

IUPAC2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine
SMILESCc1nc(CN2CCNCC2)nc(C(C)C)n1
InChIInChI=1S/C12H21N5/c1-9(2)12-15-10(3)14-11(16-12)8-17-6-4-13-5-7-17/h9,13H,4-8H2,1-3H3
InChIKeyZZIANEUPIZBJJW-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.71
Rot. Bonds3

About 2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine

2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine (PubChem CID 82476264) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine
PubChem CID82476264
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine
SMILESCc1nc(CN2CCNCC2)nc(C(C)C)n1
InChIInChI=1S/C12H21N5/c1-9(2)12-15-10(3)14-11(16-12)8-17-6-4-13-5-7-17/h9,13H,4-8H2,1-3H3
InChIKeyZZIANEUPIZBJJW-UHFFFAOYSA-N
XLogP0.71
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine
CID 82666997
5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine
CID 82470457
4-methyl-2-(piperazin-1-ylmethyl)pyrimidine
CID 63343078
5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342313
5-pentan-3-yl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342267
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
6-methyl-N-(2-piperazin-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43600421
2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117204577
2-(piperazin-1-ylmethyl)-1,3,5-triazine
CID 82468295
5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82510651
3-butan-2-yl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63716823
5-(difluoromethyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 104632652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine (CID 82476264) is 2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine is Cc1nc(CN2CCNCC2)nc(C(C)C)n1.
What is the InChIKey of 2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine?
The InChIKey is ZZIANEUPIZBJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9(2)12-15-10(3)14-11(16-12)8-17-6-4-13-5-7-17/h9,13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine?
2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine has a molecular weight of 235.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 82476264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).