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

C17H18N4O2 — CID 70283126

IUPAC4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide
SMILESCC1=Cc2ccccc2N2[NH2+]N(c3ccc(C)nc3)C(O)=C12.[OH-]
InChIInChI=1S/C17H16N4O.H2O/c1-11-9-13-5-3-4-6-15(13)21-16(11)17(22)20(19-21)14-8-7-12(2)18-10-14;/h3-10,19,22H,1-2H3;1H2
InChIKeyGLAPGCKDUJYDMK-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.08
Rot. Bonds1

About 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide

4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide (PubChem CID 70283126) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide.

Molecular Properties

Compound Name4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide
PubChem CID70283126
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide
SMILESCC1=Cc2ccccc2N2[NH2+]N(c3ccc(C)nc3)C(O)=C12.[OH-]
InChIInChI=1S/C17H16N4O.H2O/c1-11-9-13-5-3-4-6-15(13)21-16(11)17(22)20(19-21)14-8-7-12(2)18-10-14;/h3-10,19,22H,1-2H3;1H2
InChIKeyGLAPGCKDUJYDMK-UHFFFAOYSA-N
XLogP2.08
TPSA86.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-Methylphenyl)triazol-4-yl]pyridine
CID 57398900
Pyridinium, 3-(dimethylamino)-1-(((4-(dimethylamino)phenyl)methylene)amino)-2-methyl-, perchlorate
CID 9588840
Pyridinium, 5-(dimethylamino)-1-(((4-(dimethylamino)phenyl)methylene)amino)-2-methyl-, perchlorate
CID 9588848
6-Pyridin-2-ylpyridazino[1,2-a]cinnoline
CID 54439096
5-[4-(2,6-Difluorophenyl)-5-propan-2-yl-2,4-dihydrotriazol-3-yl]-2-phenylpyridine
CID 22019245
9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-10-ium-3-one
CID 54457532
9-fluoro-1-oxido-2-pyridin-3-yl-4,5-dihydro-1H-triazolo[1,5-a]quinolin-1-ium-3-ol
CID 88253127
9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-1-oxido-4,5-dihydro-1H-triazolo[1,5-a]quinolin-1-ium-3-ol
CID 88253456
9-fluoro-2-(6-methyl-3-pyridinyl)-1-oxido-4,5-dihydro-1H-triazolo[1,5-a]quinolin-1-ium-3-ol
CID 88253592
2-(6-chloro-3-pyridinyl)-9-fluoro-1-oxido-4,5-dihydro-1H-triazolo[1,5-a]quinolin-1-ium-3-ol
CID 88253597
2-(6-chloro-3-pyridinyl)-9-fluoro-4-methyl-1-oxido-4,5-dihydro-1H-triazolo[1,5-a]quinolin-1-ium-3-ol
CID 88253624
2-(6-chloro-3-pyridinyl)-9-fluoro-1H-triazolo[1,5-a]quinolin-3-ol
CID 88254145

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide?
The IUPAC name of 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide (CID 70283126) is 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide.
What is the SMILES notation for 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide?
The canonical SMILES for 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide is CC1=Cc2ccccc2N2[NH2+]N(c3ccc(C)nc3)C(O)=C12.[OH-].
What is the InChIKey of 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide?
The InChIKey is GLAPGCKDUJYDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O.H2O/c1-11-9-13-5-3-4-6-15(13)21-16(11)17(22)20(19-21)14-8-7-12(2)18-10-14;/h3-10,19,22H,1-2H3;1H2.
What are the key properties of 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide?
4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide has a molecular weight of 310.36 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-1-ium-3-ol hydroxide is sourced from PubChem (CID 70283126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).