N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine

C23H28N6 — CID 112955475

IUPACN-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCC(C)(C)c1ccc(Nc2nncc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H28N6/c1-23(2,3)18-9-11-19(12-10-18)25-22-26-21(17-24-27-22)29-15-13-28(14-16-29)20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3,(H,25,26,27)
InChIKeyLHPORAVYWFGIAZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.24
Rot. Bonds4

About N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine

N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112955475) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112955475
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC NameN-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCC(C)(C)c1ccc(Nc2nncc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H28N6/c1-23(2,3)18-9-11-19(12-10-18)25-22-26-21(17-24-27-22)29-15-13-28(14-16-29)20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3,(H,25,26,27)
InChIKeyLHPORAVYWFGIAZ-UHFFFAOYSA-N
XLogP4.24
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-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

5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955510
N-(2-ethylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955465
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
N-(4-tert-butylphenyl)-5-(2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112962579
5-methyl-N-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
CID 112955521
N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962778
5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112946268
N-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112961478
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
2-[[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112955514
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112955475) is N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine is CC(C)(C)c1ccc(Nc2nncc(N3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is LHPORAVYWFGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-23(2,3)18-9-11-19(12-10-18)25-22-26-21(17-24-27-22)29-15-13-28(14-16-29)20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3,(H,25,26,27).
What are the key properties of N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 388.52 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112955475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).