6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C17H28N6O3 — CID 25498346

IUPAC6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCN(CC(=O)N3CCCCCC3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C17H28N6O3/c1-19-16(25)15(18-20(2)17(19)26)23-11-9-21(10-12-23)13-14(24)22-7-5-3-4-6-8-22/h3-13H2,1-2H3
InChIKeyJGGJKHJUNNCTIQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP-1.00
Rot. Bonds3

About 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 25498346) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID25498346
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCN(CC(=O)N3CCCCCC3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C17H28N6O3/c1-19-16(25)15(18-20(2)17(19)26)23-11-9-21(10-12-23)13-14(24)22-7-5-3-4-6-8-22/h3-13H2,1-2H3
InChIKeyJGGJKHJUNNCTIQ-UHFFFAOYSA-N
XLogP-1.00
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 31921028
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1,3-dimethyl-8-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-7H-purine-2,6-dione
CID 1497428
2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133488828
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30739058
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
5-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 91920112
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155974342
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 25498346) is 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCN(CC(=O)N3CCCCCC3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is JGGJKHJUNNCTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-19-16(25)15(18-20(2)17(19)26)23-11-9-21(10-12-23)13-14(24)22-7-5-3-4-6-8-22/h3-13H2,1-2H3.
What are the key properties of 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 364.45 g/mol, XLogP of -1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 25498346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).