3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

C15H22N6 — CID 130765979

IUPAC3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCC1(C)CN(c2n[nH]c(N)n2)CCN1Cc1ccccc1
InChIInChI=1S/C15H22N6/c1-15(2)11-20(14-17-13(16)18-19-14)8-9-21(15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H3,16,17,18,19)
InChIKeyXQJGVVKEZYMCGI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.49
Rot. Bonds3

About 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 130765979) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID130765979
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCC1(C)CN(c2n[nH]c(N)n2)CCN1Cc1ccccc1
InChIInChI=1S/C15H22N6/c1-15(2)11-20(14-17-13(16)18-19-14)8-9-21(15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H3,16,17,18,19)
InChIKeyXQJGVVKEZYMCGI-UHFFFAOYSA-N
XLogP1.49
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-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

3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267639
5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid
CID 122048029
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
1-[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-2-phenoxyethanone
CID 118165179
1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 167400886
2-(4-benzyl-3,3-dimethylpiperazin-1-yl)propanoic acid
CID 119135339
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
3-[[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 122034723
3-[4-[[3-bromo-4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267641
2-[1-(4-benzyl-3,3-dimethylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 136523930
(2S)-2-(4-benzyl-3,3-dimethylpiperazin-1-yl)butanoic acid
CID 124623182

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (CID 130765979) is 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is CC1(C)CN(c2n[nH]c(N)n2)CCN1Cc1ccccc1.
What is the InChIKey of 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is XQJGVVKEZYMCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-15(2)11-20(14-17-13(16)18-19-14)8-9-21(15)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 130765979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).