2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone

C15H15N5O — CID 105110375

IUPAC2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
SMILESCC(C)n1ncnc1CC(=O)c1cccc2nccnc12
InChIInChI=1S/C15H15N5O/c1-10(2)20-14(18-9-19-20)8-13(21)11-4-3-5-12-15(11)17-7-6-16-12/h3-7,9-10H,8H2,1-2H3
InChIKeyBFHSALSRBHXSTB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone

2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone (PubChem CID 105110375) 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-5-ylethanone.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
PubChem CID105110375
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
SMILESCC(C)n1ncnc1CC(=O)c1cccc2nccnc12
InChIInChI=1S/C15H15N5O/c1-10(2)20-14(18-9-19-20)8-13(21)11-4-3-5-12-15(11)17-7-6-16-12/h3-7,9-10H,8H2,1-2H3
InChIKeyBFHSALSRBHXSTB-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-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
CID 105112201
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124816
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-2-ylethanone
CID 107356752
1-(2,4-dichlorophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981292
1-(2-amino-5-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 116581476
2-pyridin-4-yl-1-quinoxalin-5-ylethanone
CID 105110514
2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
CID 105081662
3-phenyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 114029038
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone
CID 105111478
2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone
CID 105088635
1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 79493427
1-quinoxalin-5-ylbut-3-en-1-one
CID 105083186

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone?
The IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone (CID 105110375) is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone.
What is the SMILES notation for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone?
The canonical SMILES for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone is CC(C)n1ncnc1CC(=O)c1cccc2nccnc12.
What is the InChIKey of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone?
The InChIKey is BFHSALSRBHXSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10(2)20-14(18-9-19-20)8-13(21)11-4-3-5-12-15(11)17-7-6-16-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone?
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-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-5-ylethanone is sourced from PubChem (CID 105110375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).