3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine

C22H25N5O — CID 112960343

IUPAC3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
SMILESCOc1ccc(Nc2cnnc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H25N5O/c1-28-20-9-7-19(8-10-20)24-21-16-23-26-22(25-21)27-13-11-18(12-14-27)15-17-5-3-2-4-6-17/h2-10,16,18H,11-15H2,1H3,(H,24,25,26)
InChIKeyMBJYRSKTEBIZGN-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.08
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine

3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine (PubChem CID 112960343) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
PubChem CID112960343
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
SMILESCOc1ccc(Nc2cnnc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H25N5O/c1-28-20-9-7-19(8-10-20)24-21-16-23-26-22(25-21)27-13-11-18(12-14-27)15-17-5-3-2-4-6-17/h2-10,16,18H,11-15H2,1H3,(H,24,25,26)
InChIKeyMBJYRSKTEBIZGN-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
CID 112960327
2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 112925846
3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112959555
3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112960353
4-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112925823
5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951205
N-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112961512
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)-1,2,4-triazin-5-amine
CID 112952831
N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955539
N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942863
4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112925851

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine (CID 112960343) is 3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine is COc1ccc(Nc2cnnc(N3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine?
The InChIKey is MBJYRSKTEBIZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-28-20-9-7-19(8-10-20)24-21-16-23-26-22(25-21)27-13-11-18(12-14-27)15-17-5-3-2-4-6-17/h2-10,16,18H,11-15H2,1H3,(H,24,25,26).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine?
3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine has a molecular weight of 375.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112960343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).