3-(3-hydroxyphenyl)triazole-4-carbaldehyde

C9H7N3O2 — CID 82363674

IUPAC3-(3-hydroxyphenyl)triazole-4-carbaldehyde
SMILESO=Cc1cnnn1-c1cccc(O)c1
InChIInChI=1S/C9H7N3O2/c13-6-8-5-10-11-12(8)7-2-1-3-9(14)4-7/h1-6,14H
InChIKeyHPHLIMWOZFOJBD-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.79
Rot. Bonds2

About 3-(3-hydroxyphenyl)triazole-4-carbaldehyde

3-(3-hydroxyphenyl)triazole-4-carbaldehyde (PubChem CID 82363674) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)triazole-4-carbaldehyde
PubChem CID82363674
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name3-(3-hydroxyphenyl)triazole-4-carbaldehyde
SMILESO=Cc1cnnn1-c1cccc(O)c1
InChIInChI=1S/C9H7N3O2/c13-6-8-5-10-11-12(8)7-2-1-3-9(14)4-7/h1-6,14H
InChIKeyHPHLIMWOZFOJBD-UHFFFAOYSA-N
XLogP0.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(5-aminotriazol-1-yl)phenol
CID 105436385
3-[5-(2-hydroxypropyl)triazol-1-yl]phenol
CID 117167193
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956
2-(5-formyltriazol-1-yl)benzonitrile
CID 90460381
3-(6-hydroxyindazol-1-yl)benzaldehyde
CID 136917932
3-(5-amino-4-propan-2-yltriazol-1-yl)phenol
CID 105472470
1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361608
3-(5-bromopyrazol-1-yl)phenol
CID 84701027
1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone
CID 115041852
3-(4-hexoxyphenyl)triazole-4-carbaldehyde
CID 82363737
3-(4-amino-5-ethyltriazol-1-yl)phenol
CID 105456139
3-(5-amino-4-ethyltriazol-1-yl)phenol
CID 105456148

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)triazole-4-carbaldehyde?
The IUPAC name of 3-(3-hydroxyphenyl)triazole-4-carbaldehyde (CID 82363674) is 3-(3-hydroxyphenyl)triazole-4-carbaldehyde.
What is the SMILES notation for 3-(3-hydroxyphenyl)triazole-4-carbaldehyde?
The canonical SMILES for 3-(3-hydroxyphenyl)triazole-4-carbaldehyde is O=Cc1cnnn1-c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)triazole-4-carbaldehyde?
The InChIKey is HPHLIMWOZFOJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-6-8-5-10-11-12(8)7-2-1-3-9(14)4-7/h1-6,14H.
What are the key properties of 3-(3-hydroxyphenyl)triazole-4-carbaldehyde?
3-(3-hydroxyphenyl)triazole-4-carbaldehyde has a molecular weight of 189.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)triazole-4-carbaldehyde is sourced from PubChem (CID 82363674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).