1-(triazol-1-yl)quinoxalin-2-one

C10H7N5O — CID 90035694

IUPAC1-(triazol-1-yl)quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1-n1ccnn1
InChIInChI=1S/C10H7N5O/c16-10-7-11-8-3-1-2-4-9(8)15(10)14-6-5-12-13-14/h1-7H
InChIKeyCGPVJAGXMFOURQ-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.30
Rot. Bonds1

About 1-(triazol-1-yl)quinoxalin-2-one

1-(triazol-1-yl)quinoxalin-2-one (PubChem CID 90035694) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-(triazol-1-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-(triazol-1-yl)quinoxalin-2-one
PubChem CID90035694
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name1-(triazol-1-yl)quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1-n1ccnn1
InChIInChI=1S/C10H7N5O/c16-10-7-11-8-3-1-2-4-9(8)15(10)14-6-5-12-13-14/h1-7H
InChIKeyCGPVJAGXMFOURQ-UHFFFAOYSA-N
XLogP0.30
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(triazol-1-yl)quinoxalin-2-one?
The IUPAC name of 1-(triazol-1-yl)quinoxalin-2-one (CID 90035694) is 1-(triazol-1-yl)quinoxalin-2-one.
What is the SMILES notation for 1-(triazol-1-yl)quinoxalin-2-one?
The canonical SMILES for 1-(triazol-1-yl)quinoxalin-2-one is O=c1cnc2ccccc2n1-n1ccnn1.
What is the InChIKey of 1-(triazol-1-yl)quinoxalin-2-one?
The InChIKey is CGPVJAGXMFOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c16-10-7-11-8-3-1-2-4-9(8)15(10)14-6-5-12-13-14/h1-7H.
What are the key properties of 1-(triazol-1-yl)quinoxalin-2-one?
1-(triazol-1-yl)quinoxalin-2-one has a molecular weight of 213.20 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triazol-1-yl)quinoxalin-2-one is sourced from PubChem (CID 90035694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).