3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one

C15H19N5O — CID 135399394

IUPAC3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C15H19N5O/c1-12-14(21)16-15(18-17-12)20-9-7-19(8-10-20)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,16,18,21)
InChIKeyDRDXDSPXZQAJCQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.80
Rot. Bonds3

About 3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one

3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135399394) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135399394
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C15H19N5O/c1-12-14(21)16-15(18-17-12)20-9-7-19(8-10-20)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,16,18,21)
InChIKeyDRDXDSPXZQAJCQ-UHFFFAOYSA-N
XLogP0.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135414578
2-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-4(3H)-one
CID 135491353
2-(4-benzylpiperazin-1-yl)-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135497598
6-methyl-3-[(2-phenylethyl)amino]-1,2,4-triazin-5(4H)-one
CID 135449193
3-(3,4-dihydro-2(1H)-isoquinolinyl)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135485469
2-(4-benzylpiperazin-1-yl)-5-ethyl-6-hydroxypyrimidin-4(3H)-one
CID 666485
(1-Benzyl-6-imino-2,4-dioxo-1,3-diazinan-5-yl)-ethylazanium
CID 72200833
4-amino-3-(benzylamino)-6-methyl-1,2,4-triazin-5(4H)-one
CID 753531
3-[(4-Fluorobenzyl)amino]-6-methyl-1,2,4-triazin-5-ol
CID 135445392
N-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 140042630
3-(benzylamino)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135453550
3-(Benzylamino)-6-tert-butyl-1,2,4-triazin-5-ol
CID 135453663

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one (CID 135399394) is 3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is DRDXDSPXZQAJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12-14(21)16-15(18-17-12)20-9-7-19(8-10-20)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,16,18,21).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 285.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135399394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).