1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile

C10H5N5O — CID 10750979

IUPAC1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile
SMILESN#Cc1nc2ccccc2n2c(=O)[nH]nc12
InChIInChI=1S/C10H5N5O/c11-5-7-9-13-14-10(16)15(9)8-4-2-1-3-6(8)12-7/h1-4H,(H,14,16)
InChIKeyMCCFEHUCDRWLIT-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.44
Rot. Bonds

About 1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile

1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile (PubChem CID 10750979) has the molecular formula C10H5N5O and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile.

Molecular Properties

Compound Name1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile
PubChem CID10750979
Molecular FormulaC10H5N5O
Molecular Weight211.18 g/mol
Exact Mass211.05
IUPAC Name1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile
SMILESN#Cc1nc2ccccc2n2c(=O)[nH]nc12
InChIInChI=1S/C10H5N5O/c11-5-7-9-13-14-10(16)15(9)8-4-2-1-3-6(8)12-7/h1-4H,(H,14,16)
InChIKeyMCCFEHUCDRWLIT-UHFFFAOYSA-N
XLogP0.44
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-oxoquinoxaline-2-carbonitrile
CID 10442447
4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 46507230
4-(3-fluorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 95915785
2H-pyrimido[1,6-a]benzimidazol-1-one
CID 137234461
2,9,19,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(20),3,5,7,9,11,13,15,17-nonaene
CID 135513359
5-phosphanylbenzimidazolo[1,2-c]quinazolin-6-one
CID 71176384
3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one
CID 146412286
1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 161329492
1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 15210133
2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1269849
(2Z)-3-methyl-1-oxo-2-[[2-(2H-tetrazol-5-yl)hydrazinyl]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 18529981
2,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,9,11,14,16,18-nonaene-11-carbonitrile
CID 169224034

Frequently Asked Questions

What is the IUPAC name of 1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile?
The IUPAC name of 1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile (CID 10750979) is 1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile.
What is the SMILES notation for 1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile?
The canonical SMILES for 1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile is N#Cc1nc2ccccc2n2c(=O)[nH]nc12.
What is the InChIKey of 1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile?
The InChIKey is MCCFEHUCDRWLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N5O/c11-5-7-9-13-14-10(16)15(9)8-4-2-1-3-6(8)12-7/h1-4H,(H,14,16).
What are the key properties of 1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile?
1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile has a molecular weight of 211.18 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile is sourced from PubChem (CID 10750979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).