5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine

C22H25N5O — CID 112942710

IUPAC5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCC1CCN(c2cnnc(Nc3ccc(OCc4ccccc4)cc3)n2)CC1
InChIInChI=1S/C22H25N5O/c1-17-11-13-27(14-12-17)21-15-23-26-22(25-21)24-19-7-9-20(10-8-19)28-16-18-5-3-2-4-6-18/h2-10,15,17H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyZLOAGOIMSFPXOV-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.43
Rot. Bonds6

About 5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine

5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 112942710) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID112942710
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCC1CCN(c2cnnc(Nc3ccc(OCc4ccccc4)cc3)n2)CC1
InChIInChI=1S/C22H25N5O/c1-17-11-13-27(14-12-17)21-15-23-26-22(25-21)24-19-7-9-20(10-8-19)28-16-18-5-3-2-4-6-18/h2-10,15,17H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyZLOAGOIMSFPXOV-UHFFFAOYSA-N
XLogP4.43
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112942724
5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112946268
N-(3,4-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942728
N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942648
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582
N-(4-ethoxyphenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957610
5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 112942587
N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942649
5-N-benzyl-5-N-methyl-3-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112949336
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
N-(2,6-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942732
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine (CID 112942710) is 5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine is CC1CCN(c2cnnc(Nc3ccc(OCc4ccccc4)cc3)n2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is ZLOAGOIMSFPXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-11-13-27(14-12-17)21-15-23-26-22(25-21)24-19-7-9-20(10-8-19)28-16-18-5-3-2-4-6-18/h2-10,15,17H,11-14,16H2,1H3,(H,24,25,26).
What are the key properties of 5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine?
5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 375.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112942710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).