5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile

C9H6N4O — CID 135448363

IUPAC5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc(O)cc1
InChIInChI=1S/C9H6N4O/c10-5-8-9(12-13-11-8)6-1-3-7(14)4-2-6/h1-4,14H,(H,11,12,13)
InChIKeyFIZDZWOIPSVVBE-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.05
Rot. Bonds1

About 5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile

5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile (PubChem CID 135448363) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile
PubChem CID135448363
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc(O)cc1
InChIInChI=1S/C9H6N4O/c10-5-8-9(12-13-11-8)6-1-3-7(14)4-2-6/h1-4,14H,(H,11,12,13)
InChIKeyFIZDZWOIPSVVBE-UHFFFAOYSA-N
XLogP1.05
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile?
The IUPAC name of 5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile (CID 135448363) is 5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile?
The InChIKey is FIZDZWOIPSVVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c10-5-8-9(12-13-11-8)6-1-3-7(14)4-2-6/h1-4,14H,(H,11,12,13).
What are the key properties of 5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile?
5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile has a molecular weight of 186.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-2H-triazole-4-carbonitrile is sourced from PubChem (CID 135448363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).