2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone

C15H15N5O — CID 107356752

IUPAC2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone
SMILESCC(C)n1ncnc1CC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C15H15N5O/c1-10(2)20-15(17-9-18-20)7-14(21)13-8-16-11-5-3-4-6-12(11)19-13/h3-6,8-10H,7H2,1-2H3
InChIKeyAJRMPBPYNAJCPV-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone

2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone (PubChem CID 107356752) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone
PubChem CID107356752
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone
SMILESCC(C)n1ncnc1CC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C15H15N5O/c1-10(2)20-15(17-9-18-20)7-14(21)13-8-16-11-5-3-4-6-12(11)19-13/h3-6,8-10H,7H2,1-2H3
InChIKeyAJRMPBPYNAJCPV-UHFFFAOYSA-N
XLogP2.23
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
CID 105110375
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124816
1-quinoxalin-2-ylbutan-1-one
CID 14895791
3-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 114029038
4-methoxy-1-quinoxalin-2-ylbutan-1-one
CID 107356829
1-(2-amino-5-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 116581476
1-quinoxalin-2-ylhexan-1-one
CID 102319889
1-(2,4-dichlorophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981292
1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 116751556
1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 79493427
2-amino-1-quinoxalin-2-ylpropan-1-one
CID 84670100
(2-oxo-2-quinoxalin-2-ylethyl) acetate
CID 119091259

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone?
The IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone (CID 107356752) is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone.
What is the SMILES notation for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone?
The canonical SMILES for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone is CC(C)n1ncnc1CC(=O)c1cnc2ccccc2n1.
What is the InChIKey of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone?
The InChIKey is AJRMPBPYNAJCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10(2)20-15(17-9-18-20)7-14(21)13-8-16-11-5-3-4-6-12(11)19-13/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone?
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone has a molecular weight of 281.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone is sourced from PubChem (CID 107356752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).