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

C22H24ClN5 — CID 112950640

IUPAC5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine
SMILESClc1ccc(CNc2nncc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H24ClN5/c23-20-8-6-19(7-9-20)15-24-22-26-21(16-25-27-22)28-12-10-18(11-13-28)14-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H,24,26,27)
InChIKeyCGHXABNARQBLAC-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.60
Rot. Bonds6

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

5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine (PubChem CID 112950640) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine
PubChem CID112950640
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine
SMILESClc1ccc(CNc2nncc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H24ClN5/c23-20-8-6-19(7-9-20)15-24-22-26-21(16-25-27-22)28-12-10-18(11-13-28)14-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H,24,26,27)
InChIKeyCGHXABNARQBLAC-UHFFFAOYSA-N
XLogP4.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951205
5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 112947401
5-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-1,2,4-triazin-3-amine
CID 112960286
4-[3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946493
N-[(4-chlorophenyl)methyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112950606
5-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950042
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
N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941828
5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
CID 114478453
N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941063
4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883410

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine (CID 112950640) is 5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine is Clc1ccc(CNc2nncc(N3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is CGHXABNARQBLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5/c23-20-8-6-19(7-9-20)15-24-22-26-21(16-25-27-22)28-12-10-18(11-13-28)14-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H,24,26,27).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine?
5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 393.92 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112950640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).