6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile

C14H9N5O — CID 133392619

IUPAC6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2ccc(-n3cncn3)cc2)n1
InChIInChI=1S/C14H9N5O/c15-8-11-2-1-3-14(18-11)20-13-6-4-12(5-7-13)19-10-16-9-17-19/h1-7,9-10H
InChIKeyOILQIBXMXWTJOI-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.33
Rot. Bonds3

About 6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile

6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile (PubChem CID 133392619) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile
PubChem CID133392619
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2ccc(-n3cncn3)cc2)n1
InChIInChI=1S/C14H9N5O/c15-8-11-2-1-3-14(18-11)20-13-6-4-12(5-7-13)19-10-16-9-17-19/h1-7,9-10H
InChIKeyOILQIBXMXWTJOI-UHFFFAOYSA-N
XLogP2.33
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile
CID 64587234
6-(4-propan-2-yloxyphenoxy)pyridine-2-carbonitrile
CID 133392591
6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile
CID 133392727
6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile
CID 133392332
6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile
CID 116801270
8-fluoro-4-[4-(1,2,4-triazol-1-yl)phenoxy]quinazoline
CID 138038997
4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine
CID 75512150
6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile
CID 133392479
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine
CID 155936378
6-quinolin-6-yloxypyridine-2-carbonitrile
CID 133392287
4-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]oxyaniline
CID 53414741

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile (CID 133392619) is 6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile is N#Cc1cccc(Oc2ccc(-n3cncn3)cc2)n1.
What is the InChIKey of 6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile?
The InChIKey is OILQIBXMXWTJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c15-8-11-2-1-3-14(18-11)20-13-6-4-12(5-7-13)19-10-16-9-17-19/h1-7,9-10H.
What are the key properties of 6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile?
6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile has a molecular weight of 263.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 133392619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).