3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine

C20H28N6 — CID 112942226

IUPAC3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine
SMILESc1ccc(CN2CCN(c3nncc(NC4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C20H28N6/c1-3-7-17(8-4-1)16-25-11-13-26(14-12-25)20-23-19(15-21-24-20)22-18-9-5-2-6-10-18/h1,3-4,7-8,15,18H,2,5-6,9-14,16H2,(H,22,23,24)
InChIKeyVPGGXUXGZAOLRK-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.94
Rot. Bonds5

About 3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine

3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine (PubChem CID 112942226) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine
PubChem CID112942226
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine
SMILESc1ccc(CN2CCN(c3nncc(NC4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C20H28N6/c1-3-7-17(8-4-1)16-25-11-13-26(14-12-25)20-23-19(15-21-24-20)22-18-9-5-2-6-10-18/h1,3-4,7-8,15,18H,2,5-6,9-14,16H2,(H,22,23,24)
InChIKeyVPGGXUXGZAOLRK-UHFFFAOYSA-N
XLogP2.94
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclohexyl-1,2,4-triazin-5-amine
CID 112942238
2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 142861903
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112955377
3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)-1,2,4-triazin-5-amine
CID 112955407
3-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112955393
N-[3-(4-benzylpiperazin-1-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112945449
3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
CID 112955380
3-(4-benzylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945803
5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945981
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine
CID 112939151

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine (CID 112942226) is 3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine is c1ccc(CN2CCN(c3nncc(NC4CCCCC4)n3)CC2)cc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine?
The InChIKey is VPGGXUXGZAOLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-3-7-17(8-4-1)16-25-11-13-26(14-12-25)20-23-19(15-21-24-20)22-18-9-5-2-6-10-18/h1,3-4,7-8,15,18H,2,5-6,9-14,16H2,(H,22,23,24).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine?
3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine has a molecular weight of 352.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).