1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol

C11H9N3O2 — CID 115028975

IUPAC1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
SMILESOCc1nnc2ccc3cc(O)ccc3n12
InChIInChI=1S/C11H9N3O2/c15-6-11-13-12-10-4-1-7-5-8(16)2-3-9(7)14(10)11/h1-5,15-16H,6H2
InChIKeyUQGDXUXRWHBBGB-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.08
Rot. Bonds1

About 1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol

1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol (PubChem CID 115028975) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
PubChem CID115028975
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
SMILESOCc1nnc2ccc3cc(O)ccc3n12
InChIInChI=1S/C11H9N3O2/c15-6-11-13-12-10-4-1-7-5-8(16)2-3-9(7)14(10)11/h1-5,15-16H,6H2
InChIKeyUQGDXUXRWHBBGB-UHFFFAOYSA-N
XLogP1.08
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028680
(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol
CID 105433265
2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 82167050
tetrazolo[1,5-a]quinolin-7-ylmethanol
CID 115021914
3-(hydroxymethyl)isoquinolin-7-ol
CID 133057443
(2-methylimidazo[1,2-a]quinolin-7-yl)methanol
CID 115027886
sodium;hydride;naphthalene-2,6-diol
CID 174639769
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139567
(5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol
CID 81441170
6-hydroxy-1-prop-2-enylquinolin-2-one
CID 45117451
imidazo[1,2-a]quinolin-7-ylmethanol
CID 115021375
1-(2-hydroxyethyl)benzotriazol-5-ol
CID 83524240

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
The IUPAC name of 1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol (CID 115028975) is 1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol.
What is the SMILES notation for 1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
The canonical SMILES for 1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol is OCc1nnc2ccc3cc(O)ccc3n12.
What is the InChIKey of 1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
The InChIKey is UQGDXUXRWHBBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-6-11-13-12-10-4-1-7-5-8(16)2-3-9(7)14(10)11/h1-5,15-16H,6H2.
What are the key properties of 1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol has a molecular weight of 215.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol is sourced from PubChem (CID 115028975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).