quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol

C12H10N4O — CID 81219926

IUPACquinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1ncn[nH]1)c1cccc2cccnc12
InChIInChI=1S/C12H10N4O/c17-11(12-14-7-15-16-12)9-5-1-3-8-4-2-6-13-10(8)9/h1-7,11,17H,(H,14,15,16)
InChIKeyDWWUYHZTWOTOCS-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.43
Rot. Bonds2

About quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol

quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 81219926) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Namequinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol
PubChem CID81219926
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Namequinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol
SMILESOC(c1ncn[nH]1)c1cccc2cccnc12
InChIInChI=1S/C12H10N4O/c17-11(12-14-7-15-16-12)9-5-1-3-8-4-2-6-13-10(8)9/h1-7,11,17H,(H,14,15,16)
InChIKeyDWWUYHZTWOTOCS-UHFFFAOYSA-N
XLogP1.43
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol 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

[quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230361
(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
CID 115527954
isoquinolin-4-yl(1H-1,2,4-triazol-5-yl)methanol
CID 65363281
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
[3-(dimethylamino)phenyl]-quinolin-8-ylmethanol
CID 105118763
(1-ethylimidazol-2-yl)-quinolin-8-ylmethanol
CID 55126409
(4-methyl-3-pyridinyl)-quinolin-8-ylmethanol
CID 66273941
(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
CID 115826971
(3-ethylthiophen-2-yl)-quinolin-8-ylmethanol
CID 115826964
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063
quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol
CID 105118765
(3-chloro-4-pyridinyl)-quinolin-8-ylmethanol
CID 105118816

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol (CID 81219926) is quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol is OC(c1ncn[nH]1)c1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is DWWUYHZTWOTOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c17-11(12-14-7-15-16-12)9-5-1-3-8-4-2-6-13-10(8)9/h1-7,11,17H,(H,14,15,16).
What are the key properties of quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol?
quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 226.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 81219926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).