3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one

C13H14N6O — CID 66193670

IUPAC3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one
SMILESCNCc1cn(Cc2nc3ccccc3[nH]c2=O)nn1
InChIInChI=1S/C13H14N6O/c1-14-6-9-7-19(18-17-9)8-12-13(20)16-11-5-3-2-4-10(11)15-12/h2-5,7,14H,6,8H2,1H3,(H,16,20)
InChIKeyDELHGLXWHDZLRY-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.28
Rot. Bonds4

About 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one

3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one (PubChem CID 66193670) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one
PubChem CID66193670
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one
SMILESCNCc1cn(Cc2nc3ccccc3[nH]c2=O)nn1
InChIInChI=1S/C13H14N6O/c1-14-6-9-7-19(18-17-9)8-12-13(20)16-11-5-3-2-4-10(11)15-12/h2-5,7,14H,6,8H2,1H3,(H,16,20)
InChIKeyDELHGLXWHDZLRY-UHFFFAOYSA-N
XLogP0.28
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-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

1-[(3-oxo-4H-quinoxalin-2-yl)methyl]triazole-4-carbaldehyde
CID 66215567
3-[[4-(1-aminopropyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one
CID 106228340
3-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]-1,1-dimethylurea
CID 154782280
N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine
CID 66214042
N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66191856
2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole
CID 139019671
3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one
CID 104975782
2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol
CID 62400589
5-methyl-1-[(3-oxo-4H-quinoxalin-2-yl)methyl]triazole-4-carboxylic acid
CID 62053696
3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one
CID 86774553
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
3-methyl-1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102785485

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one (CID 66193670) is 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one is CNCc1cn(Cc2nc3ccccc3[nH]c2=O)nn1.
What is the InChIKey of 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one?
The InChIKey is DELHGLXWHDZLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-14-6-9-7-19(18-17-9)8-12-13(20)16-11-5-3-2-4-10(11)15-12/h2-5,7,14H,6,8H2,1H3,(H,16,20).
What are the key properties of 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one?
3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one has a molecular weight of 270.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 66193670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).