3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

C13H17F3N2 — CID 59709381

IUPAC3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCC(C)(C)c1cc2c(nc1C(F)(F)F)CCNC2
InChIInChI=1S/C13H17F3N2/c1-12(2,3)9-6-8-7-17-5-4-10(8)18-11(9)13(14,15)16/h6,17H,4-5,7H2,1-3H3
InChIKeyKXTKVDJWMONSNM-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.04
Rot. Bonds

About 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 59709381) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID59709381
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCC(C)(C)c1cc2c(nc1C(F)(F)F)CCNC2
InChIInChI=1S/C13H17F3N2/c1-12(2,3)9-6-8-7-17-5-4-10(8)18-11(9)13(14,15)16/h6,17H,4-5,7H2,1-3H3
InChIKeyKXTKVDJWMONSNM-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine 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 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 59709381) is 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine is CC(C)(C)c1cc2c(nc1C(F)(F)F)CCNC2.
What is the InChIKey of 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is KXTKVDJWMONSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-12(2,3)9-6-8-7-17-5-4-10(8)18-11(9)13(14,15)16/h6,17H,4-5,7H2,1-3H3.
What are the key properties of 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 258.29 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 59709381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).