3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C10H5N5O — CID 105392803

IUPAC3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(-c3ccon3)n2c1
InChIInChI=1S/C10H5N5O/c11-5-7-1-2-9-12-13-10(15(9)6-7)8-3-4-16-14-8/h1-4,6H
InChIKeyDUYALDOEZKKUQG-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.26
Rot. Bonds1

About 3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392803) has the molecular formula C10H5N5O and a molecular weight of 211.18 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392803
Molecular FormulaC10H5N5O
Molecular Weight211.18 g/mol
Exact Mass211.05
IUPAC Name3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(-c3ccon3)n2c1
InChIInChI=1S/C10H5N5O/c11-5-7-1-2-9-12-13-10(15(9)6-7)8-3-4-16-14-8/h1-4,6H
InChIKeyDUYALDOEZKKUQG-UHFFFAOYSA-N
XLogP1.26
TPSA80.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392776
3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392546
3-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392740
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633
3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392541
3-(2-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392680
3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392749
3-quinoxalin-5-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392570
3-quinolin-8-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392584
3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392647
3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392853
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392564

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392803) is 3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is N#Cc1ccc2nnc(-c3ccon3)n2c1.
What is the InChIKey of 3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is DUYALDOEZKKUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N5O/c11-5-7-1-2-9-12-13-10(15(9)6-7)8-3-4-16-14-8/h1-4,6H.
What are the key properties of 3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 211.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).