5-phenyl-1H-triazole-2,3-dicarbaldehyde

C10H9N3O2 — CID 88788371

IUPAC5-phenyl-1H-triazole-2,3-dicarbaldehyde
SMILESO=CN1C=C(c2ccccc2)NN1C=O
InChIInChI=1S/C10H9N3O2/c14-7-12-6-10(11-13(12)8-15)9-4-2-1-3-5-9/h1-8,11H
InChIKeyDQHQOWAZTCYRNH-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.34
Rot. Bonds3

About 5-phenyl-1H-triazole-2,3-dicarbaldehyde

5-phenyl-1H-triazole-2,3-dicarbaldehyde (PubChem CID 88788371) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-phenyl-1H-triazole-2,3-dicarbaldehyde.

Molecular Properties

Compound Name5-phenyl-1H-triazole-2,3-dicarbaldehyde
PubChem CID88788371
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-phenyl-1H-triazole-2,3-dicarbaldehyde
SMILESO=CN1C=C(c2ccccc2)NN1C=O
InChIInChI=1S/C10H9N3O2/c14-7-12-6-10(11-13(12)8-15)9-4-2-1-3-5-9/h1-8,11H
InChIKeyDQHQOWAZTCYRNH-UHFFFAOYSA-N
XLogP0.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-triazole-2,3-dicarbaldehyde?
The IUPAC name of 5-phenyl-1H-triazole-2,3-dicarbaldehyde (CID 88788371) is 5-phenyl-1H-triazole-2,3-dicarbaldehyde.
What is the SMILES notation for 5-phenyl-1H-triazole-2,3-dicarbaldehyde?
The canonical SMILES for 5-phenyl-1H-triazole-2,3-dicarbaldehyde is O=CN1C=C(c2ccccc2)NN1C=O.
What is the InChIKey of 5-phenyl-1H-triazole-2,3-dicarbaldehyde?
The InChIKey is DQHQOWAZTCYRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-7-12-6-10(11-13(12)8-15)9-4-2-1-3-5-9/h1-8,11H.
What are the key properties of 5-phenyl-1H-triazole-2,3-dicarbaldehyde?
5-phenyl-1H-triazole-2,3-dicarbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-triazole-2,3-dicarbaldehyde is sourced from PubChem (CID 88788371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).