2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol

C13H8N6O — CID 139599968

IUPAC2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
SMILESOc1cccc2c1nnc1nc(-c3cccnc3)nn12
InChIInChI=1S/C13H8N6O/c20-10-5-1-4-9-11(10)16-17-13-15-12(18-19(9)13)8-3-2-6-14-7-8/h1-7,20H
InChIKeyFBXNPHXVIKXVPS-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.44
Rot. Bonds1

About 2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol

2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol (PubChem CID 139599968) has the molecular formula C13H8N6O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol.

Molecular Properties

Compound Name2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
PubChem CID139599968
Molecular FormulaC13H8N6O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
SMILESOc1cccc2c1nnc1nc(-c3cccnc3)nn12
InChIInChI=1S/C13H8N6O/c20-10-5-1-4-9-11(10)16-17-13-15-12(18-19(9)13)8-3-2-6-14-7-8/h1-7,20H
InChIKeyFBXNPHXVIKXVPS-UHFFFAOYSA-N
XLogP1.44
TPSA89.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566432
7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497848
(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103317716
7-pyridin-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497841
7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497872
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567404
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 115004022
4-pyridin-3-yl-11-(1,2,4-triazol-4-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 17036663
5-methyl-2-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 27186929
1,3-dipyridin-3-ylindazole-5-carboxamide
CID 174835120
4-methyl-5-pyridin-3-ylpyridin-3-ol
CID 175581528
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol?
The IUPAC name of 2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol (CID 139599968) is 2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol.
What is the SMILES notation for 2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol?
The canonical SMILES for 2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol is Oc1cccc2c1nnc1nc(-c3cccnc3)nn12.
What is the InChIKey of 2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol?
The InChIKey is FBXNPHXVIKXVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6O/c20-10-5-1-4-9-11(10)16-17-13-15-12(18-19(9)13)8-3-2-6-14-7-8/h1-7,20H.
What are the key properties of 2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol?
2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol has a molecular weight of 264.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol is sourced from PubChem (CID 139599968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).