2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde

C7H3F3N4O — CID 82393725

IUPAC2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESO=Cc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C7H3F3N4O/c8-7(9,10)5-12-6-11-1-4(3-15)2-14(6)13-5/h1-3H
InChIKeyWWVVFLYRFQKYTJ-UHFFFAOYSA-N
MW216.12 g/mol
LogP0.96
Rot. Bonds1

About 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde

2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 82393725) has the molecular formula C7H3F3N4O and a molecular weight of 216.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
PubChem CID82393725
Molecular FormulaC7H3F3N4O
Molecular Weight216.12 g/mol
Exact Mass216.03
IUPAC Name2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESO=Cc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C7H3F3N4O/c8-7(9,10)5-12-6-11-1-4(3-15)2-14(6)13-5/h1-3H
InChIKeyWWVVFLYRFQKYTJ-UHFFFAOYSA-N
XLogP0.96
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 50.96
H-Bond Donors ≤ 50
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-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 82393725) is 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde is O=Cc1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde?
The InChIKey is WWVVFLYRFQKYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4O/c8-7(9,10)5-12-6-11-1-4(3-15)2-14(6)13-5/h1-3H.
What are the key properties of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde?
2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 216.12 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 82393725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).