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

C21H24N6O2 — CID 112957363

IUPACN-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
SMILESCOc1cccc(Nc2nncc(N3CCN(c4ccccc4OC)CC3)n2)c1
InChIInChI=1S/C21H24N6O2/c1-28-17-7-5-6-16(14-17)23-21-24-20(15-22-25-21)27-12-10-26(11-13-27)18-8-3-4-9-19(18)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25)
InChIKeyQPKWPHIJNWOGLM-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.96
Rot. Bonds6

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

N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine (PubChem CID 112957363) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
PubChem CID112957363
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
SMILESCOc1cccc(Nc2nncc(N3CCN(c4ccccc4OC)CC3)n2)c1
InChIInChI=1S/C21H24N6O2/c1-28-17-7-5-6-16(14-17)23-21-24-20(15-22-25-21)27-12-10-26(11-13-27)18-8-3-4-9-19(18)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25)
InChIKeyQPKWPHIJNWOGLM-UHFFFAOYSA-N
XLogP2.96
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112957368
5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine
CID 112946238
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-1,2,4-triazin-3-amine
CID 112957426
N-(3,4-dimethoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958078
N-(3-chloro-4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112957900
N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941171
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
N-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112961478
4-[3-(3-chloro-4-methoxyanilino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946585
N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945917
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967203

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine (CID 112957363) is N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine is COc1cccc(Nc2nncc(N3CCN(c4ccccc4OC)CC3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The InChIKey is QPKWPHIJNWOGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-28-17-7-5-6-16(14-17)23-21-24-20(15-22-25-21)27-12-10-26(11-13-27)18-8-3-4-9-19(18)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine has a molecular weight of 392.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112957363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).