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

C21H24N6 — CID 112957221

IUPACN-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
SMILESCc1cccc(Nc2nncc(N3CCN(c4cccc(C)c4)CC3)n2)c1
InChIInChI=1S/C21H24N6/c1-16-5-3-7-18(13-16)23-21-24-20(15-22-25-21)27-11-9-26(10-12-27)19-8-4-6-17(2)14-19/h3-8,13-15H,9-12H2,1-2H3,(H,23,24,25)
InChIKeyRAWAYRUWCOXLTL-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.56
Rot. Bonds4

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

N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine (PubChem CID 112957221) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
PubChem CID112957221
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
SMILESCc1cccc(Nc2nncc(N3CCN(c4cccc(C)c4)CC3)n2)c1
InChIInChI=1S/C21H24N6/c1-16-5-3-7-18(13-16)23-21-24-20(15-22-25-21)27-11-9-26(10-12-27)19-8-4-6-17(2)14-19/h3-8,13-15H,9-12H2,1-2H3,(H,23,24,25)
InChIKeyRAWAYRUWCOXLTL-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

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine
CID 112957426
N-(2,4-difluorophenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957261
N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945917
N-[(4-methoxyphenyl)methyl]-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112951191
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945289
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898122
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955475
N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923475
5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine
CID 112946238
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine (CID 112957221) is N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine is Cc1cccc(Nc2nncc(N3CCN(c4cccc(C)c4)CC3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The InChIKey is RAWAYRUWCOXLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-16-5-3-7-18(13-16)23-21-24-20(15-22-25-21)27-11-9-26(10-12-27)19-8-4-6-17(2)14-19/h3-8,13-15H,9-12H2,1-2H3,(H,23,24,25).
What are the key properties of N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-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-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112957221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).