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

C22H26N6O — CID 112957389

IUPACN-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCOc1ccccc1N1CCN(c2nncc(Nc3ccc(C)cc3C)n2)CC1
InChIInChI=1S/C22H26N6O/c1-16-8-9-18(17(2)14-16)24-21-15-23-26-22(25-21)28-12-10-27(11-13-28)19-6-4-5-7-20(19)29-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26)
InChIKeyNIUPEHIOTJPGPB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.57
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 112957389) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID112957389
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCOc1ccccc1N1CCN(c2nncc(Nc3ccc(C)cc3C)n2)CC1
InChIInChI=1S/C22H26N6O/c1-16-8-9-18(17(2)14-16)24-21-15-23-26-22(25-21)28-12-10-27(11-13-28)19-6-4-5-7-20(19)29-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26)
InChIKeyNIUPEHIOTJPGPB-UHFFFAOYSA-N
XLogP3.57
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
N-(2,4-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957955
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112958864
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112947900
N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955547
1-[4-[5-(2-methoxyanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947103
5-N-(2,4-dimethylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954036
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923552
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112863083
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898510
N-(2,5-dimethylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298428
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946068

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (CID 112957389) is N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is COc1ccccc1N1CCN(c2nncc(Nc3ccc(C)cc3C)n2)CC1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is NIUPEHIOTJPGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-16-8-9-18(17(2)14-16)24-21-15-23-26-22(25-21)28-12-10-27(11-13-28)19-6-4-5-7-20(19)29-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26).
What are the key properties of N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 390.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112957389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).