5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile

C15H10N4O — CID 6411993

IUPAC5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H10N4O/c16-10-14-15(18-19-17-14)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9H,(H,17,18,19)
InChIKeyNXOAIXQCQZIYEF-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.14
Rot. Bonds3

About 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile

5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile (PubChem CID 6411993) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile
PubChem CID6411993
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H10N4O/c16-10-14-15(18-19-17-14)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9H,(H,17,18,19)
InChIKeyNXOAIXQCQZIYEF-UHFFFAOYSA-N
XLogP3.14
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile?
The IUPAC name of 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile (CID 6411993) is 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile?
The InChIKey is NXOAIXQCQZIYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c16-10-14-15(18-19-17-14)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9H,(H,17,18,19).
What are the key properties of 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile?
5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile is sourced from PubChem (CID 6411993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).