N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine

C21H24N6 — CID 112949228

IUPACN-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCN(Cc1ccccc1)c1cnnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C21H24N6/c1-25(17-18-8-4-2-5-9-18)20-16-22-24-21(23-20)27-14-12-26(13-15-27)19-10-6-3-7-11-19/h2-11,16H,12-15,17H2,1H3
InChIKeyDTBUZTOKYPXHGE-UHFFFAOYSA-N
MW360.47 g/mol
LogP2.83
Rot. Bonds5

About N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine

N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112949228) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112949228
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCN(Cc1ccccc1)c1cnnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C21H24N6/c1-25(17-18-8-4-2-5-9-18)20-16-22-24-21(23-20)27-14-12-26(13-15-27)19-10-6-3-7-11-19/h2-11,16H,12-15,17H2,1H3
InChIKeyDTBUZTOKYPXHGE-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-methyl-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298525
N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955533
5-N-benzyl-5-N-methyl-3-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112949333
N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112946090
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890848
4-[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946672
N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112951576
N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909437
3-(azepan-1-yl)-N-methyl-N-phenyl-1,2,4-triazin-5-amine
CID 112961359
N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112955669
1-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]azepane
CID 112955538
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
CID 112954567

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112949228) is N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine is CN(Cc1ccccc1)c1cnnc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is DTBUZTOKYPXHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-25(17-18-8-4-2-5-9-18)20-16-22-24-21(23-20)27-14-12-26(13-15-27)19-10-6-3-7-11-19/h2-11,16H,12-15,17H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 360.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112949228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).