4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane

C26H32N6O — CID 145194658

IUPAC4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane
SMILESCC.Cc1ccc(-c2nc(NC3CCN(Cc4ccccc4)CC3)n3[nH]c(=O)cc3n2)cc1
InChIInChI=1S/C24H26N6O.C2H6/c1-17-7-9-19(10-8-17)23-26-21-15-22(31)28-30(21)24(27-23)25-20-11-13-29(14-12-20)16-18-5-3-2-4-6-18;1-2/h2-10,15,20H,11-14,16H2,1H3,(H,28,31)(H,25,26,27);1-2H3
InChIKeyFQNOKQVXKYPPDC-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.50
Rot. Bonds5

About 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane

4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane (PubChem CID 145194658) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane
PubChem CID145194658
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane
SMILESCC.Cc1ccc(-c2nc(NC3CCN(Cc4ccccc4)CC3)n3[nH]c(=O)cc3n2)cc1
InChIInChI=1S/C24H26N6O.C2H6/c1-17-7-9-19(10-8-17)23-26-21-15-22(31)28-30(21)24(27-23)25-20-11-13-29(14-12-20)16-18-5-3-2-4-6-18;1-2/h2-10,15,20H,11-14,16H2,1H3,(H,28,31)(H,25,26,27);1-2H3
InChIKeyFQNOKQVXKYPPDC-UHFFFAOYSA-N
XLogP4.50
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3230040
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110986461
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane (CID 145194658) is 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane is CC.Cc1ccc(-c2nc(NC3CCN(Cc4ccccc4)CC3)n3[nH]c(=O)cc3n2)cc1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane?
The InChIKey is FQNOKQVXKYPPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O.C2H6/c1-17-7-9-19(10-8-17)23-26-21-15-22(31)28-30(21)24(27-23)25-20-11-13-29(14-12-20)16-18-5-3-2-4-6-18;1-2/h2-10,15,20H,11-14,16H2,1H3,(H,28,31)(H,25,26,27);1-2H3.
What are the key properties of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane?
4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane has a molecular weight of 444.58 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane is sourced from PubChem (CID 145194658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).