N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

C17H13N5O2 — CID 11659733

IUPACN-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1
InChIInChI=1S/C17H13N5O2/c23-16(18-10-11-6-2-1-3-7-11)14-20-15-17(24)19-12-8-4-5-9-13(12)22(15)21-14/h1-9H,10H2,(H,18,23)(H,19,24)
InChIKeyHFFLVEUMMZNPPE-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.50
Rot. Bonds3

About N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 11659733) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID11659733
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC NameN-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1
InChIInChI=1S/C17H13N5O2/c23-16(18-10-11-6-2-1-3-7-11)14-20-15-17(24)19-12-8-4-5-9-13(12)22(15)21-14/h1-9H,10H2,(H,18,23)(H,19,24)
InChIKeyHFFLVEUMMZNPPE-UHFFFAOYSA-N
XLogP1.50
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-cyclopentyl-6-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one
CID 146322270
5-[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-N-[2-(dimethylamino)ethyl]-N-methyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 146322271
(1,2,4)triazolo(1,5-a)quinoxalin-4(5H)-one
CID 10103893
1-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
CID 901348
4-[2-[(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2483020
4-[2-[[5-Methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2543646
N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4835789
2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10016491
Ethyl 8-methyl-4-oxo-4,5-dihydro-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11514585
4,5-Dihydro-5,8-dimethyl-2-phenyl-1,2,4-triazolo[1,5-a]quinoxalin-4-one
CID 11543839
8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405115
8-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405119

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 11659733) is N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is O=C(NCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1.
What is the InChIKey of N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is HFFLVEUMMZNPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c23-16(18-10-11-6-2-1-3-7-11)14-20-15-17(24)19-12-8-4-5-9-13(12)22(15)21-14/h1-9H,10H2,(H,18,23)(H,19,24).
What are the key properties of N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 11659733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).