2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde

C14H9F3N4O — CID 87507761

IUPAC2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)9-4-6-10(7-5-9)18-13-19-12-3-1-2-11(8-22)21(12)20-13/h1-8H,(H,18,20)
InChIKeyQNTGQEJRUHXSQQ-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.30
Rot. Bonds3

About 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde

2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 87507761) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
PubChem CID87507761
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)9-4-6-10(7-5-9)18-13-19-12-3-1-2-11(8-22)21(12)20-13/h1-8H,(H,18,20)
InChIKeyQNTGQEJRUHXSQQ-UHFFFAOYSA-N
XLogP3.30
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde (CID 87507761) is 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde is O=Cc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12.
What is the InChIKey of 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is QNTGQEJRUHXSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)9-4-6-10(7-5-9)18-13-19-12-3-1-2-11(8-22)21(12)20-13/h1-8H,(H,18,20).
What are the key properties of 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 306.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 87507761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).