2-(benzotriazol-1-yl)quinoxaline

C14H9N5 — CID 11096911

IUPAC2-(benzotriazol-1-yl)quinoxaline
SMILESc1ccc2nc(-n3nnc4ccccc43)cnc2c1
InChIInChI=1S/C14H9N5/c1-2-6-11-10(5-1)15-9-14(16-11)19-13-8-4-3-7-12(13)17-18-19/h1-9H
InChIKeyDHXGJBWFLLXUBB-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.36
Rot. Bonds1

About 2-(benzotriazol-1-yl)quinoxaline

2-(benzotriazol-1-yl)quinoxaline (PubChem CID 11096911) has the molecular formula C14H9N5 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)quinoxaline.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)quinoxaline
PubChem CID11096911
Molecular FormulaC14H9N5
Molecular Weight247.26 g/mol
Exact Mass247.09
IUPAC Name2-(benzotriazol-1-yl)quinoxaline
SMILESc1ccc2nc(-n3nnc4ccccc43)cnc2c1
InChIInChI=1S/C14H9N5/c1-2-6-11-10(5-1)15-9-14(16-11)19-13-8-4-3-7-12(13)17-18-19/h1-9H
InChIKeyDHXGJBWFLLXUBB-UHFFFAOYSA-N
XLogP2.36
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloropyrazin-2-yl)benzotriazole
CID 43260425
6-(benzotriazol-1-yl)pyridin-3-amine
CID 29082003
1-(5-chloro-2-pyridinyl)benzotriazole
CID 12588335
1-[5-(chloromethyl)-2-pyridinyl]benzotriazole
CID 61257847
1-(6-chloropyridazin-3-yl)benzotriazole
CID 43213118
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
2-(benzotriazol-1-yl)-6-propan-2-ylquinoline
CID 166442505
5-amino-2-(benzotriazol-1-yl)pyridine-4-carboxylic acid
CID 114090505
4-(benzotriazol-1-yl)quinoline-3-carbonitrile
CID 43669171
4-(benzotriazol-1-yl)-2-phenylquinazoline
CID 2455828
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole
CID 102444439

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)quinoxaline?
The IUPAC name of 2-(benzotriazol-1-yl)quinoxaline (CID 11096911) is 2-(benzotriazol-1-yl)quinoxaline.
What is the SMILES notation for 2-(benzotriazol-1-yl)quinoxaline?
The canonical SMILES for 2-(benzotriazol-1-yl)quinoxaline is c1ccc2nc(-n3nnc4ccccc43)cnc2c1.
What is the InChIKey of 2-(benzotriazol-1-yl)quinoxaline?
The InChIKey is DHXGJBWFLLXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5/c1-2-6-11-10(5-1)15-9-14(16-11)19-13-8-4-3-7-12(13)17-18-19/h1-9H.
What are the key properties of 2-(benzotriazol-1-yl)quinoxaline?
2-(benzotriazol-1-yl)quinoxaline has a molecular weight of 247.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)quinoxaline is sourced from PubChem (CID 11096911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).