N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H10F3N5 — CID 24882111

IUPACN-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
InChIInChI=1S/C16H10F3N5/c17-16(18,19)13-8-14(24-15(23-13)20-9-21-24)22-12-6-5-10-3-1-2-4-11(10)7-12/h1-9,22H
InChIKeyZCCJUZIRKRMTMO-UHFFFAOYSA-N
MW329.29 g/mol
LogP4.04
Rot. Bonds2

About N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24882111) has the molecular formula C16H10F3N5 and a molecular weight of 329.29 g/mol. Its IUPAC name is N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID24882111
Molecular FormulaC16H10F3N5
Molecular Weight329.29 g/mol
Exact Mass329.09
IUPAC NameN-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
InChIInChI=1S/C16H10F3N5/c17-16(18,19)13-8-14(24-15(23-13)20-9-21-24)22-12-6-5-10-3-1-2-4-11(10)7-12/h1-9,22H
InChIKeyZCCJUZIRKRMTMO-UHFFFAOYSA-N
XLogP4.04
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 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 N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 24882111) is N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1cc(Nc2ccc3ccccc3c2)n2ncnc2n1.
What is the InChIKey of N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZCCJUZIRKRMTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5/c17-16(18,19)13-8-14(24-15(23-13)20-9-21-24)22-12-6-5-10-3-1-2-4-11(10)7-12/h1-9,22H.
What are the key properties of N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 329.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24882111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).