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

C22H26N6O — CID 112954228

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(CCNc2nncc(N3CCN(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H26N6O/c1-29-20-9-5-6-18(16-20)10-11-23-22-25-21(17-24-26-22)28-14-12-27(13-15-28)19-7-3-2-4-8-19/h2-9,16-17H,10-15H2,1H3,(H,23,25,26)
InChIKeyNSHLTROXSDGFLZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.86
Rot. Bonds7

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

N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112954228) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112954228
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(CCNc2nncc(N3CCN(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H26N6O/c1-29-20-9-5-6-18(16-20)10-11-23-22-25-21(17-24-26-22)28-14-12-27(13-15-28)19-7-3-2-4-8-19/h2-9,16-17H,10-15H2,1H3,(H,23,25,26)
InChIKeyNSHLTROXSDGFLZ-UHFFFAOYSA-N
XLogP2.86
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941842
N-[2-(3-methoxyphenyl)ethyl]-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954235
N-(3-methoxypropyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112943886
N-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112895248
5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112946149
N-[(2-methoxyphenyl)methyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112950896
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-[(4-methoxyphenyl)methyl]-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112951191
N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934109
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 112944964
N-[2-(2-fluorophenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112953509
5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939915

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112954228) is N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine is COc1cccc(CCNc2nncc(N3CCN(c4ccccc4)CC3)n2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is NSHLTROXSDGFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-29-20-9-5-6-18(16-20)10-11-23-22-25-21(17-24-26-22)28-14-12-27(13-15-28)19-7-3-2-4-8-19/h2-9,16-17H,10-15H2,1H3,(H,23,25,26).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 390.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112954228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).