2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide

C16H16N4O2 — CID 70287183

IUPAC2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide
SMILESCc1ccc(N2[NH2+]N3C(=C2O)C=Cc2ccccc23)cn1.[OH-]
InChIInChI=1S/C16H14N4O.H2O/c1-11-6-8-13(10-17-11)19-16(21)15-9-7-12-4-2-3-5-14(12)20(15)18-19;/h2-10,18,21H,1H3;1H2
InChIKeyGVUPSUNBWSMISO-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.69
Rot. Bonds1

About 2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide

2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide (PubChem CID 70287183) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide
PubChem CID70287183
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide
SMILESCc1ccc(N2[NH2+]N3C(=C2O)C=Cc2ccccc23)cn1.[OH-]
InChIInChI=1S/C16H14N4O.H2O/c1-11-6-8-13(10-17-11)19-16(21)15-9-7-12-4-2-3-5-14(12)20(15)18-19;/h2-10,18,21H,1H3;1H2
InChIKeyGVUPSUNBWSMISO-UHFFFAOYSA-N
XLogP1.69
TPSA86.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide (CID 70287183) is 2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide is Cc1ccc(N2[NH2+]N3C(=C2O)C=Cc2ccccc23)cn1.[OH-].
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide?
The InChIKey is GVUPSUNBWSMISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O.H2O/c1-11-6-8-13(10-17-11)19-16(21)15-9-7-12-4-2-3-5-14(12)20(15)18-19;/h2-10,18,21H,1H3;1H2.
What are the key properties of 2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide?
2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide has a molecular weight of 296.33 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide is sourced from PubChem (CID 70287183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).