2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane]

C12H17F3N4O — CID 167098897

IUPAC2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane]
SMILESCOC1CC12c1nnc(C(F)(F)F)n1CCN2C(C)C
InChIInChI=1S/C12H17F3N4O/c1-7(2)19-5-4-18-9(11(19)6-8(11)20-3)16-17-10(18)12(13,14)15/h7-8H,4-6H2,1-3H3
InChIKeyMGBJLCVZEKVEAI-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.63
Rot. Bonds2

About 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane]

2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane] (PubChem CID 167098897) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane].

Molecular Properties

Compound Name2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane]
PubChem CID167098897
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane]
SMILESCOC1CC12c1nnc(C(F)(F)F)n1CCN2C(C)C
InChIInChI=1S/C12H17F3N4O/c1-7(2)19-5-4-18-9(11(19)6-8(11)20-3)16-17-10(18)12(13,14)15/h7-8H,4-6H2,1-3H3
InChIKeyMGBJLCVZEKVEAI-UHFFFAOYSA-N
XLogP1.63
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane] 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 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane]?
The IUPAC name of 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane] (CID 167098897) is 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane].
What is the SMILES notation for 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane]?
The canonical SMILES for 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane] is COC1CC12c1nnc(C(F)(F)F)n1CCN2C(C)C.
What is the InChIKey of 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane]?
The InChIKey is MGBJLCVZEKVEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7(2)19-5-4-18-9(11(19)6-8(11)20-3)16-17-10(18)12(13,14)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane]?
2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane] has a molecular weight of 290.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methoxy-7-propan-2-yl-3-(trifluoromethyl)spiro[5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-8,1'-cyclopropane] is sourced from PubChem (CID 167098897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).