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

C22H26N6 — CID 112955328

IUPAC5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccc(Nc2nncc(N3CCN(Cc4ccccc4)CC3)n2)c(C)c1
InChIInChI=1S/C22H26N6/c1-17-8-9-20(18(2)14-17)24-22-25-21(15-23-26-22)28-12-10-27(11-13-28)16-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,25,26)
InChIKeyVRAZGFJPOJBGKF-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.55
Rot. Bonds5

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

5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine (PubChem CID 112955328) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine
PubChem CID112955328
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccc(Nc2nncc(N3CCN(Cc4ccccc4)CC3)n2)c(C)c1
InChIInChI=1S/C22H26N6/c1-17-8-9-20(18(2)14-17)24-22-25-21(15-23-26-22)28-12-10-27(11-13-28)16-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,25,26)
InChIKeyVRAZGFJPOJBGKF-UHFFFAOYSA-N
XLogP3.55
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-benzylpiperazin-1-yl)-N-(4-chloro-2-methylphenyl)-1,2,4-triazin-3-amine
CID 112955348
[4-[3-(2,4-dimethylanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957750
1-N-[5-(4-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112955359
5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943516
5-N-benzyl-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947589
5-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950042
N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941199
4-N,4-N-diethyl-2-methyl-1-N-[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]benzene-1,4-diamine
CID 112945940
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
4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
CID 112922111
3-N-benzyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947761

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine (CID 112955328) is 5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine is Cc1ccc(Nc2nncc(N3CCN(Cc4ccccc4)CC3)n2)c(C)c1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is VRAZGFJPOJBGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-17-8-9-20(18(2)14-17)24-22-25-21(15-23-26-22)28-12-10-27(11-13-28)16-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,25,26).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine?
5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 374.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112955328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).