3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C14H9ClN4O — CID 105392786

IUPAC3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(COc3ccc(Cl)cc3)n2c1
InChIInChI=1S/C14H9ClN4O/c15-11-2-4-12(5-3-11)20-9-14-18-17-13-6-1-10(7-16)8-19(13)14/h1-6,8H,9H2
InChIKeyXHUBEQIHOQMCIA-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.83
Rot. Bonds3

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

3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392786) has the molecular formula C14H9ClN4O and a molecular weight of 284.71 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392786
Molecular FormulaC14H9ClN4O
Molecular Weight284.71 g/mol
Exact Mass284.05
IUPAC Name3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(COc3ccc(Cl)cc3)n2c1
InChIInChI=1S/C14H9ClN4O/c15-11-2-4-12(5-3-11)20-9-14-18-17-13-6-1-10(7-16)8-19(13)14/h1-6,8H,9H2
InChIKeyXHUBEQIHOQMCIA-UHFFFAOYSA-N
XLogP2.83
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392786) is 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is N#Cc1ccc2nnc(COc3ccc(Cl)cc3)n2c1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is XHUBEQIHOQMCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O/c15-11-2-4-12(5-3-11)20-9-14-18-17-13-6-1-10(7-16)8-19(13)14/h1-6,8H,9H2.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 284.71 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).