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

C23H27N5O — CID 112951205

IUPAC5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(CNc2nncc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H27N5O/c1-29-21-9-7-20(8-10-21)16-24-23-26-22(17-25-27-23)28-13-11-19(12-14-28)15-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,24,26,27)
InChIKeyPBOLHVRAPAYFFP-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.95
Rot. Bonds7

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

5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine (PubChem CID 112951205) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
PubChem CID112951205
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(CNc2nncc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H27N5O/c1-29-21-9-7-20(8-10-21)16-24-23-26-22(17-25-27-23)28-13-11-19(12-14-28)15-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,24,26,27)
InChIKeyPBOLHVRAPAYFFP-UHFFFAOYSA-N
XLogP3.95
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950640
5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 112947401
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951171
N-[(4-methoxyphenyl)methyl]-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112951191
3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112960343
4-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112925823
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 112942587
5-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-1,2,4-triazin-3-amine
CID 112960286
5-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950042
N-[(2-methoxyphenyl)methyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112950896
N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954228

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine (CID 112951205) is 5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine is COc1ccc(CNc2nncc(N3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is PBOLHVRAPAYFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-29-21-9-7-20(8-10-21)16-24-23-26-22(17-25-27-23)28-13-11-19(12-14-28)15-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,24,26,27).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 389.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112951205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).