[1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone

C11H10F3N5O — CID 102709398

IUPAC[1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESNCCn1cc(C(=O)c2cnccc2C(F)(F)F)nn1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)8-1-3-16-5-7(8)10(20)9-6-19(4-2-15)18-17-9/h1,3,5-6H,2,4,15H2
InChIKeyIDJNFYGBICXODQ-UHFFFAOYSA-N
MW285.23 g/mol
LogP0.88
Rot. Bonds4

About [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone

[1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102709398) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102709398
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name[1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESNCCn1cc(C(=O)c2cnccc2C(F)(F)F)nn1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)8-1-3-16-5-7(8)10(20)9-6-19(4-2-15)18-17-9/h1,3,5-6H,2,4,15H2
InChIKeyIDJNFYGBICXODQ-UHFFFAOYSA-N
XLogP0.88
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102709398) is [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone is NCCn1cc(C(=O)c2cnccc2C(F)(F)F)nn1.
What is the InChIKey of [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is IDJNFYGBICXODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c12-11(13,14)8-1-3-16-5-7(8)10(20)9-6-19(4-2-15)18-17-9/h1,3,5-6H,2,4,15H2.
What are the key properties of [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
[1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 285.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102709398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).