(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone

C15H16N6O — CID 142406427

IUPAC(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone
SMILESCc1nnc2cnc3cc(C(=O)N4CCNCC4)ccc3n12
InChIInChI=1S/C15H16N6O/c1-10-18-19-14-9-17-12-8-11(2-3-13(12)21(10)14)15(22)20-6-4-16-5-7-20/h2-3,8-9,16H,4-7H2,1H3
InChIKeyNNFLKJOBEXXAKB-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.63
Rot. Bonds1

About (1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone

(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone (PubChem CID 142406427) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is (1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone
PubChem CID142406427
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone
SMILESCc1nnc2cnc3cc(C(=O)N4CCNCC4)ccc3n12
InChIInChI=1S/C15H16N6O/c1-10-18-19-14-9-17-12-8-11(2-3-13(12)21(10)14)15(22)20-6-4-16-5-7-20/h2-3,8-9,16H,4-7H2,1H3
InChIKeyNNFLKJOBEXXAKB-UHFFFAOYSA-N
XLogP0.63
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone (CID 142406427) is (1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone is Cc1nnc2cnc3cc(C(=O)N4CCNCC4)ccc3n12.
What is the InChIKey of (1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone?
The InChIKey is NNFLKJOBEXXAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10-18-19-14-9-17-12-8-11(2-3-13(12)21(10)14)15(22)20-6-4-16-5-7-20/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of (1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone?
(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone has a molecular weight of 296.33 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-7-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 142406427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).