3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one

C11H9N5O — CID 137079359

IUPAC3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one
SMILESCn1ncnc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C11H9N5O/c1-16-10(12-6-13-16)9-11(17)15-8-5-3-2-4-7(8)14-9/h2-6H,1H3,(H,15,17)
InChIKeyAKYHGUMARCUUQS-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.72
Rot. Bonds1

About 3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one

3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one (PubChem CID 137079359) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one
PubChem CID137079359
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one
SMILESCn1ncnc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C11H9N5O/c1-16-10(12-6-13-16)9-11(17)15-8-5-3-2-4-7(8)14-9/h2-6H,1H3,(H,15,17)
InChIKeyAKYHGUMARCUUQS-UHFFFAOYSA-N
XLogP0.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one
CID 134842555
3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one
CID 135818382
3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one
CID 135585445
3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one
CID 14739100
2-[2-[[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135915486
3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one
CID 131853309
3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 11738152
3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one
CID 14493371
2-methyl-1H-benzimidazole
CID 11984
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853
2-(1-methylimidazol-2-yl)-1H-benzimidazole
CID 20807349
3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one
CID 135818479

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one (CID 137079359) is 3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one is Cn1ncnc1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one?
The InChIKey is AKYHGUMARCUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-16-10(12-6-13-16)9-11(17)15-8-5-3-2-4-7(8)14-9/h2-6H,1H3,(H,15,17).
What are the key properties of 3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one?
3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one has a molecular weight of 227.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 137079359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).