5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine

C19H27N7 — CID 112945981

IUPAC5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCN1CCN(c2nncc(N3CCN(Cc4ccccc4)CC3)n2)CC1
InChIInChI=1S/C19H27N7/c1-23-7-11-26(12-8-23)19-21-18(15-20-22-19)25-13-9-24(10-14-25)16-17-5-3-2-4-6-17/h2-6,15H,7-14,16H2,1H3
InChIKeyDOQUDYSCPUXHGO-UHFFFAOYSA-N
MW353.47 g/mol
LogP0.95
Rot. Bonds4

About 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine

5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 112945981) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
PubChem CID112945981
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCN1CCN(c2nncc(N3CCN(Cc4ccccc4)CC3)n2)CC1
InChIInChI=1S/C19H27N7/c1-23-7-11-26(12-8-23)19-21-18(15-20-22-19)25-13-9-24(10-14-25)16-17-5-3-2-4-6-17/h2-6,15H,7-14,16H2,1H3
InChIKeyDOQUDYSCPUXHGO-UHFFFAOYSA-N
XLogP0.95
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine with MolForge

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Related Compounds

3-(4-benzylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945803
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
CID 112955380
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945819
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112955377
5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943516
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112946090
3-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112955393

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine (CID 112945981) is 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine is CN1CCN(c2nncc(N3CCN(Cc4ccccc4)CC3)n2)CC1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is DOQUDYSCPUXHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-23-7-11-26(12-8-23)19-21-18(15-20-22-19)25-13-9-24(10-14-25)16-17-5-3-2-4-6-17/h2-6,15H,7-14,16H2,1H3.
What are the key properties of 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 353.47 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 112945981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).