2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol

C14H10N6O — CID 135458511

IUPAC2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol
SMILESOc1ccccc1Nc1nc2ccccc2n2nnnc12
InChIInChI=1S/C14H10N6O/c21-12-8-4-2-6-10(12)16-13-14-17-18-19-20(14)11-7-3-1-5-9(11)15-13/h1-8,21H,(H,15,16)
InChIKeyCEIJMINSYMMDDU-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.12
Rot. Bonds2

About 2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol

2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol (PubChem CID 135458511) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol.

Molecular Properties

Compound Name2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol
PubChem CID135458511
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol
SMILESOc1ccccc1Nc1nc2ccccc2n2nnnc12
InChIInChI=1S/C14H10N6O/c21-12-8-4-2-6-10(12)16-13-14-17-18-19-20(14)11-7-3-1-5-9(11)15-13/h1-8,21H,(H,15,16)
InChIKeyCEIJMINSYMMDDU-UHFFFAOYSA-N
XLogP2.12
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol?
The IUPAC name of 2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol (CID 135458511) is 2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol.
What is the SMILES notation for 2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol?
The canonical SMILES for 2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol is Oc1ccccc1Nc1nc2ccccc2n2nnnc12.
What is the InChIKey of 2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol?
The InChIKey is CEIJMINSYMMDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c21-12-8-4-2-6-10(12)16-13-14-17-18-19-20(14)11-7-3-1-5-9(11)15-13/h1-8,21H,(H,15,16).
What are the key properties of 2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol?
2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol has a molecular weight of 278.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol is sourced from PubChem (CID 135458511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).