2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile

C11H6ClN5O — CID 10706436

IUPAC2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile
SMILESN#CCc1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1
InChIInChI=1S/C11H6ClN5O/c12-6-1-2-8-7(5-6)14-11(18)10-15-9(3-4-13)16-17(8)10/h1-2,5H,3H2,(H,14,18)
InChIKeyFOAUIWFPGCHVET-UHFFFAOYSA-N
MW259.66 g/mol
LogP1.29
Rot. Bonds1

About 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile

2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile (PubChem CID 10706436) has the molecular formula C11H6ClN5O and a molecular weight of 259.66 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile
PubChem CID10706436
Molecular FormulaC11H6ClN5O
Molecular Weight259.66 g/mol
Exact Mass259.03
IUPAC Name2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile
SMILESN#CCc1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1
InChIInChI=1S/C11H6ClN5O/c12-6-1-2-8-7(5-6)14-11(18)10-15-9(3-4-13)16-17(8)10/h1-2,5H,3H2,(H,14,18)
InChIKeyFOAUIWFPGCHVET-UHFFFAOYSA-N
XLogP1.29
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile with MolForge

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Related Compounds

7,8-Dichloro-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 9948141
7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10244065
Ethyl 8-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 44461607
8-chloro-2-(3-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 9972965
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10357363
8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10425813
7,9-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10566031
7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10635371
Ethyl 7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10661355
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10758555
9-amino-7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 25022525
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 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile?
The IUPAC name of 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile (CID 10706436) is 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile.
What is the SMILES notation for 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile?
The canonical SMILES for 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile is N#CCc1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1.
What is the InChIKey of 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile?
The InChIKey is FOAUIWFPGCHVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN5O/c12-6-1-2-8-7(5-6)14-11(18)10-15-9(3-4-13)16-17(8)10/h1-2,5H,3H2,(H,14,18).
What are the key properties of 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile?
2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile has a molecular weight of 259.66 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxalin-2-yl)acetonitrile is sourced from PubChem (CID 10706436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).