2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide

C23H34N6O3 — CID 146070202

IUPAC2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide
SMILESCCn1nc2n(c1=O)CCOC2CC(=O)NCCCN1CCN(c2ccccc2C)CC1
InChIInChI=1S/C23H34N6O3/c1-3-29-23(31)28-15-16-32-20(22(28)25-29)17-21(30)24-9-6-10-26-11-13-27(14-12-26)19-8-5-4-7-18(19)2/h4-5,7-8,20H,3,6,9-17H2,1-2H3,(H,24,30)
InChIKeyKMHUWGCHIRPNSM-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.16
Rot. Bonds8

About 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide

2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 146070202) has the molecular formula C23H34N6O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide
PubChem CID146070202
Molecular FormulaC23H34N6O3
Molecular Weight442.56 g/mol
Exact Mass442.27
IUPAC Name2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide
SMILESCCn1nc2n(c1=O)CCOC2CC(=O)NCCCN1CCN(c2ccccc2C)CC1
InChIInChI=1S/C23H34N6O3/c1-3-29-23(31)28-15-16-32-20(22(28)25-29)17-21(30)24-9-6-10-26-11-13-27(14-12-26)19-8-5-4-7-18(19)2/h4-5,7-8,20H,3,6,9-17H2,1-2H3,(H,24,30)
InChIKeyKMHUWGCHIRPNSM-UHFFFAOYSA-N
XLogP1.16
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide (CID 146070202) is 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide is CCn1nc2n(c1=O)CCOC2CC(=O)NCCCN1CCN(c2ccccc2C)CC1.
What is the InChIKey of 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is KMHUWGCHIRPNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O3/c1-3-29-23(31)28-15-16-32-20(22(28)25-29)17-21(30)24-9-6-10-26-11-13-27(14-12-26)19-8-5-4-7-18(19)2/h4-5,7-8,20H,3,6,9-17H2,1-2H3,(H,24,30).
What are the key properties of 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide?
2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 146070202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).