2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile

C11H10N4O — CID 976192

IUPAC2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCn1cncn1
InChIInChI=1S/C11H10N4O/c12-7-10-3-1-2-4-11(10)16-6-5-15-9-13-8-14-15/h1-4,8-9H,5-6H2
InChIKeyKUDZHVQDCPCUOH-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.23
Rot. Bonds4

About 2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile

2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile (PubChem CID 976192) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile
PubChem CID976192
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCn1cncn1
InChIInChI=1S/C11H10N4O/c12-7-10-3-1-2-4-11(10)16-6-5-15-9-13-8-14-15/h1-4,8-9H,5-6H2
InChIKeyKUDZHVQDCPCUOH-UHFFFAOYSA-N
XLogP1.23
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile (CID 976192) is 2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile is N#Cc1ccccc1OCCn1cncn1.
What is the InChIKey of 2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile?
The InChIKey is KUDZHVQDCPCUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-7-10-3-1-2-4-11(10)16-6-5-15-9-13-8-14-15/h1-4,8-9H,5-6H2.
What are the key properties of 2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile?
2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-triazol-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 976192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).