N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine

C17H24F3N7O — CID 177015328

IUPACN-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine
SMILESFC(F)(F)c1cncc(NC2CCCOC2)n1.c1cn(C2CCNCC2)nn1
InChIInChI=1S/C10H12F3N3O.C7H12N4/c11-10(12,13)8-4-14-5-9(16-8)15-7-2-1-3-17-6-7;1-3-8-4-2-7(1)11-6-5-9-10-11/h4-5,7H,1-3,6H2,(H,15,16);5-8H,1-4H2
InChIKeyKJYWIUVCJLZRAG-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.29
Rot. Bonds3

About N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine

N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine (PubChem CID 177015328) has the molecular formula C17H24F3N7O and a molecular weight of 399.42 g/mol. Its IUPAC name is N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine.

Molecular Properties

Compound NameN-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine
PubChem CID177015328
Molecular FormulaC17H24F3N7O
Molecular Weight399.42 g/mol
Exact Mass399.20
IUPAC NameN-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine
SMILESFC(F)(F)c1cncc(NC2CCCOC2)n1.c1cn(C2CCNCC2)nn1
InChIInChI=1S/C10H12F3N3O.C7H12N4/c11-10(12,13)8-4-14-5-9(16-8)15-7-2-1-3-17-6-7;1-3-8-4-2-7(1)11-6-5-9-10-11/h4-5,7H,1-3,6H2,(H,15,16);5-8H,1-4H2
InChIKeyKJYWIUVCJLZRAG-UHFFFAOYSA-N
XLogP2.29
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine?
The IUPAC name of N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine (CID 177015328) is N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine.
What is the SMILES notation for N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine?
The canonical SMILES for N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine is FC(F)(F)c1cncc(NC2CCCOC2)n1.c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine?
The InChIKey is KJYWIUVCJLZRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O.C7H12N4/c11-10(12,13)8-4-14-5-9(16-8)15-7-2-1-3-17-6-7;1-3-8-4-2-7(1)11-6-5-9-10-11/h4-5,7H,1-3,6H2,(H,15,16);5-8H,1-4H2.
What are the key properties of N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine?
N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine has a molecular weight of 399.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine is sourced from PubChem (CID 177015328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).