7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one

C21H20N6O2 — CID 53170966

IUPAC7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one
SMILESCc1ccc2c(c1)[nH]c(=O)c1c(C(=O)N3CCN(c4ccccc4)CC3)nnn12
InChIInChI=1S/C21H20N6O2/c1-14-7-8-17-16(13-14)22-20(28)19-18(23-24-27(17)19)21(29)26-11-9-25(10-12-26)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,22,28)
InChIKeyHMRXHLSWJQFFSS-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.84
Rot. Bonds2

About 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one

7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one (PubChem CID 53170966) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one
PubChem CID53170966
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one
SMILESCc1ccc2c(c1)[nH]c(=O)c1c(C(=O)N3CCN(c4ccccc4)CC3)nnn12
InChIInChI=1S/C21H20N6O2/c1-14-7-8-17-16(13-14)22-20(28)19-18(23-24-27(17)19)21(29)26-11-9-25(10-12-26)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,22,28)
InChIKeyHMRXHLSWJQFFSS-UHFFFAOYSA-N
XLogP1.84
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
CID 91891398
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one
CID 91891411
8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
CID 15987691
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170811
6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91891167
6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
CID 27049012
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one (CID 53170966) is 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one is Cc1ccc2c(c1)[nH]c(=O)c1c(C(=O)N3CCN(c4ccccc4)CC3)nnn12.
What is the InChIKey of 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is HMRXHLSWJQFFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14-7-8-17-16(13-14)22-20(28)19-18(23-24-27(17)19)21(29)26-11-9-25(10-12-26)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,22,28).
What are the key properties of 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one?
7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 388.43 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 53170966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).