propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

C13H12N4O3 — CID 11521902

IUPACpropan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCC(C)OC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1
InChIInChI=1S/C13H12N4O3/c1-7(2)20-13(19)10-15-11-12(18)14-8-5-3-4-6-9(8)17(11)16-10/h3-7H,1-2H3,(H,14,18)
InChIKeyQOGWOXGVMQAHRK-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.14
Rot. Bonds2

About propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (PubChem CID 11521902) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
PubChem CID11521902
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Namepropan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCC(C)OC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1
InChIInChI=1S/C13H12N4O3/c1-7(2)20-13(19)10-15-11-12(18)14-8-5-3-4-6-9(8)17(11)16-10/h3-7H,1-2H3,(H,14,18)
InChIKeyQOGWOXGVMQAHRK-UHFFFAOYSA-N
XLogP1.14
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-ol
CID 3843652
Ethyl 8-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 44461607
(1,2,4)triazolo(1,5-a)quinoxalin-4(5H)-one
CID 10103893
7-Bromo-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10063908
Ethyl 4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10422626
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
Ethyl 7-amino-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10849846
Diethyl 4,5-dihydro-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2,5-dicarboxylate
CID 11493648
Ethyl 8-methyl-4-oxo-4,5-dihydro-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11514585
Ethyl 5-methyl-4-oxo-4,5-dihydro-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11543615

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The IUPAC name of propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (CID 11521902) is propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The canonical SMILES for propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is CC(C)OC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1.
What is the InChIKey of propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The InChIKey is QOGWOXGVMQAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-7(2)20-13(19)10-15-11-12(18)14-8-5-3-4-6-9(8)17(11)16-10/h3-7H,1-2H3,(H,14,18).
What are the key properties of propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 11521902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).