3-(2-hydroxyphenyl)triazole-4-carbonitrile

C9H6N4O — CID 84660466

IUPAC3-(2-hydroxyphenyl)triazole-4-carbonitrile
SMILESN#Cc1cnnn1-c1ccccc1O
InChIInChI=1S/C9H6N4O/c10-5-7-6-11-12-13(7)8-3-1-2-4-9(8)14/h1-4,6,14H
InChIKeyFBHYTZWUPANOQY-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.84
Rot. Bonds1

About 3-(2-hydroxyphenyl)triazole-4-carbonitrile

3-(2-hydroxyphenyl)triazole-4-carbonitrile (PubChem CID 84660466) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)triazole-4-carbonitrile.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)triazole-4-carbonitrile
PubChem CID84660466
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name3-(2-hydroxyphenyl)triazole-4-carbonitrile
SMILESN#Cc1cnnn1-c1ccccc1O
InChIInChI=1S/C9H6N4O/c10-5-7-6-11-12-13(7)8-3-1-2-4-9(8)14/h1-4,6,14H
InChIKeyFBHYTZWUPANOQY-UHFFFAOYSA-N
XLogP0.84
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)triazole-4-carbonitrile
CID 84661292
2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol
CID 117167122
2-(5-formyltriazol-1-yl)benzonitrile
CID 90460381
2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid
CID 117167165
2-(5-pyrrolidin-3-yltriazol-1-yl)phenol
CID 84693510
3-[3-(2-hydroxyphenyl)triazol-4-yl]-2,2-dimethylpropanoic acid
CID 117167179
2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
CID 105482916
4-nitro-2-(5-phenyltriazol-1-yl)phenol
CID 10356396
4-[5-(2-phenylethyl)triazol-1-yl]benzonitrile
CID 102111737
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
3-(2-methylphenyl)imidazole-4-carbonitrile
CID 84659049
2-(5-methyltriazol-1-yl)benzenediazonium
CID 10704234

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)triazole-4-carbonitrile?
The IUPAC name of 3-(2-hydroxyphenyl)triazole-4-carbonitrile (CID 84660466) is 3-(2-hydroxyphenyl)triazole-4-carbonitrile.
What is the SMILES notation for 3-(2-hydroxyphenyl)triazole-4-carbonitrile?
The canonical SMILES for 3-(2-hydroxyphenyl)triazole-4-carbonitrile is N#Cc1cnnn1-c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)triazole-4-carbonitrile?
The InChIKey is FBHYTZWUPANOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c10-5-7-6-11-12-13(7)8-3-1-2-4-9(8)14/h1-4,6,14H.
What are the key properties of 3-(2-hydroxyphenyl)triazole-4-carbonitrile?
3-(2-hydroxyphenyl)triazole-4-carbonitrile has a molecular weight of 186.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)triazole-4-carbonitrile is sourced from PubChem (CID 84660466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).