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

C21H24N6 — CID 112955547

IUPACN-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCc1ccc(C)c(Nc2cnnc(N3CCN(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C21H24N6/c1-16-8-9-17(2)19(14-16)23-20-15-22-25-21(24-20)27-12-10-26(11-13-27)18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25)
InChIKeyJJQAWJTXCNCYIY-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.56
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112955547) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112955547
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCc1ccc(C)c(Nc2cnnc(N3CCN(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C21H24N6/c1-16-8-9-17(2)19(14-16)23-20-15-22-25-21(24-20)27-12-10-26(11-13-27)18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25)
InChIKeyJJQAWJTXCNCYIY-UHFFFAOYSA-N
XLogP3.56
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298428
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281
N-(2-fluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957301
N-(2,5-dimethylphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-amine
CID 112956607
N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955539
3-(2,3-dihydroindol-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962664
N-(2,4-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957955
N-(5-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946051
5-N-(2,5-dimethylphenyl)-3-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963176
N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957323
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112962856
N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957389

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112955547) is N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine is Cc1ccc(C)c(Nc2cnnc(N3CCN(c4ccccc4)CC3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is JJQAWJTXCNCYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-16-8-9-17(2)19(14-16)23-20-15-22-25-21(24-20)27-12-10-26(11-13-27)18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 360.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112955547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).