1-pyridin-3-ylbenzotriazole

C11H8N4 — CID 10997922

IUPAC1-pyridin-3-ylbenzotriazole
SMILESc1cncc(-n2nnc3ccccc32)c1
InChIInChI=1S/C11H8N4/c1-2-6-11-10(5-1)13-14-15(11)9-4-3-7-12-8-9/h1-8H
InChIKeyXDMGZQFRTUFKIN-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.82
Rot. Bonds1

About 1-pyridin-3-ylbenzotriazole

1-pyridin-3-ylbenzotriazole (PubChem CID 10997922) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-pyridin-3-ylbenzotriazole.

Molecular Properties

Compound Name1-pyridin-3-ylbenzotriazole
PubChem CID10997922
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name1-pyridin-3-ylbenzotriazole
SMILESc1cncc(-n2nnc3ccccc32)c1
InChIInChI=1S/C11H8N4/c1-2-6-11-10(5-1)13-14-15(11)9-4-3-7-12-8-9/h1-8H
InChIKeyXDMGZQFRTUFKIN-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Quinoxaline
CID 7045
2-Methylquinoxaline
CID 23686
1-Phenyl-1,2,3-benzotriazole
CID 136693
2-(1h-[1,2,3]Triazol-4-yl)pyridine
CID 9812807
1-(2'-Pyridyl)benzo-1,2,3-triazole
CID 151802
4-Methylpyrrolo[1,2-a]quinoxaline
CID 5325237
1-Ethylbenzotriazole
CID 27939
Pyrrolo(1,2-a)pyrazine
CID 11018843
[1,2,3]Triazolo[1,5-a]pyridine
CID 219470
1H-1,2,3-Triazlo(4,5-c)pyridine
CID 136084
1-Methylpyrrolo(1,2-a)pyrazine
CID 583432
4-Methylpyrrolo[1,2-a]pyrazine
CID 583433

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylbenzotriazole?
The IUPAC name of 1-pyridin-3-ylbenzotriazole (CID 10997922) is 1-pyridin-3-ylbenzotriazole.
What is the SMILES notation for 1-pyridin-3-ylbenzotriazole?
The canonical SMILES for 1-pyridin-3-ylbenzotriazole is c1cncc(-n2nnc3ccccc32)c1.
What is the InChIKey of 1-pyridin-3-ylbenzotriazole?
The InChIKey is XDMGZQFRTUFKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-6-11-10(5-1)13-14-15(11)9-4-3-7-12-8-9/h1-8H.
What are the key properties of 1-pyridin-3-ylbenzotriazole?
1-pyridin-3-ylbenzotriazole has a molecular weight of 196.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylbenzotriazole is sourced from PubChem (CID 10997922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).