N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine

C21H24N6 — CID 112946090

IUPACN-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
SMILESCN1CCN(c2nncc(N(Cc3ccccc3)c3ccccc3)n2)CC1
InChIInChI=1S/C21H24N6/c1-25-12-14-26(15-13-25)21-23-20(16-22-24-21)27(19-10-6-3-7-11-19)17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3
InChIKeyOUYKDXXZPCBYOR-UHFFFAOYSA-N
MW360.47 g/mol
LogP2.96
Rot. Bonds5

About N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine

N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine (PubChem CID 112946090) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
PubChem CID112946090
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
SMILESCN1CCN(c2nncc(N(Cc3ccccc3)c3ccccc3)n2)CC1
InChIInChI=1S/C21H24N6/c1-25-12-14-26(15-13-25)21-23-20(16-22-24-21)27(19-10-6-3-7-11-19)17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3
InChIKeyOUYKDXXZPCBYOR-UHFFFAOYSA-N
XLogP2.96
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-(2,3-dihydroindol-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112962725
N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112949228
N-benzyl-N-methyl-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298525
4-[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946672
5-N-benzyl-3-N,3-N-diethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958395
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
N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112951576
3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
CID 112961359
N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine
CID 112888148
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
5-N-benzyl-3-N-(2-methylphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine (CID 112946090) is N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine is CN1CCN(c2nncc(N(Cc3ccccc3)c3ccccc3)n2)CC1.
What is the InChIKey of N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
The InChIKey is OUYKDXXZPCBYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-25-12-14-26(15-13-25)21-23-20(16-22-24-21)27(19-10-6-3-7-11-19)17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3.
What are the key properties of N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine?
N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine has a molecular weight of 360.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112946090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).