6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C16H15F3N6O — CID 169155498

IUPAC6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFC(F)(F)c1ccc(Nc2nc3nonc3nc2NC2CCCC2)cc1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)9-5-7-11(8-6-9)21-13-12(20-10-3-1-2-4-10)22-14-15(23-13)25-26-24-14/h5-8,10H,1-4H2,(H,20,22,24)(H,21,23,25)
InChIKeyLPIFMBAARWOTGR-UHFFFAOYSA-N
MW364.33 g/mol
LogP4.13
Rot. Bonds4

About 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 169155498) has the molecular formula C16H15F3N6O and a molecular weight of 364.33 g/mol. Its IUPAC name is 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID169155498
Molecular FormulaC16H15F3N6O
Molecular Weight364.33 g/mol
Exact Mass364.13
IUPAC Name6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFC(F)(F)c1ccc(Nc2nc3nonc3nc2NC2CCCC2)cc1
InChIInChI=1S/C16H15F3N6O/c17-16(18,19)9-5-7-11(8-6-9)21-13-12(20-10-3-1-2-4-10)22-14-15(23-13)25-26-24-14/h5-8,10H,1-4H2,(H,20,22,24)(H,21,23,25)
InChIKeyLPIFMBAARWOTGR-UHFFFAOYSA-N
XLogP4.13
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine 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 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 169155498) is 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is FC(F)(F)c1ccc(Nc2nc3nonc3nc2NC2CCCC2)cc1.
What is the InChIKey of 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is LPIFMBAARWOTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O/c17-16(18,19)9-5-7-11(8-6-9)21-13-12(20-10-3-1-2-4-10)22-14-15(23-13)25-26-24-14/h5-8,10H,1-4H2,(H,20,22,24)(H,21,23,25).
What are the key properties of 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 364.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 169155498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).