N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide

C23H24N6O2 — CID 91891355

IUPACN-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCN(CCCNC(=O)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)c1ccccc1
InChIInChI=1S/C23H24N6O2/c1-2-28(18-12-7-4-8-13-18)15-9-14-24-22(30)20-21-23(31)25-19(16-29(21)27-26-20)17-10-5-3-6-11-17/h3-8,10-13,16H,2,9,14-15H2,1H3,(H,24,30)(H,25,31)
InChIKeyZYPDJHKCTJPVDX-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.73
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide

N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 91891355) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID91891355
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCN(CCCNC(=O)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)c1ccccc1
InChIInChI=1S/C23H24N6O2/c1-2-28(18-12-7-4-8-13-18)15-9-14-24-22(30)20-21-23(31)25-19(16-29(21)27-26-20)17-10-5-3-6-11-17/h3-8,10-13,16H,2,9,14-15H2,1H3,(H,24,30)(H,25,31)
InChIKeyZYPDJHKCTJPVDX-UHFFFAOYSA-N
XLogP2.73
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 91891355) is N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide is CCN(CCCNC(=O)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is ZYPDJHKCTJPVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-2-28(18-12-7-4-8-13-18)15-9-14-24-22(30)20-21-23(31)25-19(16-29(21)27-26-20)17-10-5-3-6-11-17/h3-8,10-13,16H,2,9,14-15H2,1H3,(H,24,30)(H,25,31).
What are the key properties of N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-4-oxo-6-phenyl-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91891355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).