1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide

C9H8N4O — CID 70285056

IUPAC1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide
SMILES[OH-].c1ccc2c(c1)ncc1cn[nH][n+]12
InChIInChI=1S/C9H6N4.H2O/c1-2-4-9-8(3-1)10-5-7-6-11-12-13(7)9;/h1-6H;1H2
InChIKeyCLCJKTNBZAPHTE-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.52
Rot. Bonds

About 1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide

1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide (PubChem CID 70285056) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide.

Molecular Properties

Compound Name1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide
PubChem CID70285056
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide
SMILES[OH-].c1ccc2c(c1)ncc1cn[nH][n+]12
InChIInChI=1S/C9H6N4.H2O/c1-2-4-9-8(3-1)10-5-7-6-11-12-13(7)9;/h1-6H;1H2
InChIKeyCLCJKTNBZAPHTE-UHFFFAOYSA-N
XLogP0.52
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-1-oxidoquinoxalin-1-ium
CID 59738563
3-(1H-pyrazol-5-yl)quinoline
CID 22660698
3-(1H-pyrazol-4-yl)quinoline
CID 90943604
hydron;phenazine
CID 175446889
2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione
CID 56612331
3-pyridin-4-ylquinoline
CID 10081720
2-phenylquinazoline
CID 158733567
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
2-quinolin-3-ylethanol
CID 53403774
2-(3-methoxyphenyl)-1-oxidoquinoxalin-1-ium
CID 59738579
14,14-difluoro-12-phenyl-13-oxa-8-aza-1-azonia-14-boranuidatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,8,11-hexaene
CID 139185842
phenanthridine
CID 9189

Frequently Asked Questions

What is the IUPAC name of 1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide?
The IUPAC name of 1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide (CID 70285056) is 1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide.
What is the SMILES notation for 1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide?
The canonical SMILES for 1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide is [OH-].c1ccc2c(c1)ncc1cn[nH][n+]12.
What is the InChIKey of 1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide?
The InChIKey is CLCJKTNBZAPHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4.H2O/c1-2-4-9-8(3-1)10-5-7-6-11-12-13(7)9;/h1-6H;1H2.
What are the key properties of 1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide?
1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide has a molecular weight of 188.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-triazolo[1,5-a]quinoxalin-10-ium hydroxide is sourced from PubChem (CID 70285056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).