3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine

C23H28N6 — CID 112948909

IUPAC3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine
SMILESCc1cccc(N2CCN(c3nncc(NC(C)c4ccccc4)n3)CC2)c1C
InChIInChI=1S/C23H28N6/c1-17-8-7-11-21(18(17)2)28-12-14-29(15-13-28)23-26-22(16-24-27-23)25-19(3)20-9-5-4-6-10-20/h4-11,16,19H,12-15H2,1-3H3,(H,25,26,27)
InChIKeyZLFVFROZSUAWQH-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.99
Rot. Bonds5

About 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine (PubChem CID 112948909) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine
PubChem CID112948909
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine
SMILESCc1cccc(N2CCN(c3nncc(NC(C)c4ccccc4)n3)CC2)c1C
InChIInChI=1S/C23H28N6/c1-17-8-7-11-21(18(17)2)28-12-14-29(15-13-28)23-26-22(16-24-27-23)25-19(3)20-9-5-4-6-10-20/h4-11,16,19H,12-15H2,1-3H3,(H,25,26,27)
InChIKeyZLFVFROZSUAWQH-UHFFFAOYSA-N
XLogP3.99
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112957485
3-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948938
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112883531
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938752
N-(2,3-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958126
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-1,2,4-triazin-5-amine
CID 112940327
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890544
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923590
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112947900
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582667
N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940719

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine (CID 112948909) is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine is Cc1cccc(N2CCN(c3nncc(NC(C)c4ccccc4)n3)CC2)c1C.
What is the InChIKey of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine?
The InChIKey is ZLFVFROZSUAWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-17-8-7-11-21(18(17)2)28-12-14-29(15-13-28)23-26-22(16-24-27-23)25-19(3)20-9-5-4-6-10-20/h4-11,16,19H,12-15H2,1-3H3,(H,25,26,27).
What are the key properties of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine?
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine has a molecular weight of 388.52 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112948909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).