7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid

C19H27F3N6O3 — CID 171694584

IUPAC7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
SMILESCCOCC1CCN(C)C2(C1)CN(c1cc(C)nc3ncnn13)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N6O.C2HF3O2/c1-4-24-9-14-5-6-21(3)17(8-14)10-22(11-17)15-7-13(2)20-16-18-12-19-23(15)16;3-2(4,5)1(6)7/h7,12,14H,4-6,8-11H2,1-3H3;(H,6,7)
InChIKeyRQNCIZLCLALMJG-UHFFFAOYSA-N
MW444.46 g/mol
LogP2.00
Rot. Bonds4

About 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid

7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 171694584) has the molecular formula C19H27F3N6O3 and a molecular weight of 444.46 g/mol. Its IUPAC name is 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID171694584
Molecular FormulaC19H27F3N6O3
Molecular Weight444.46 g/mol
Exact Mass444.21
IUPAC Name7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
SMILESCCOCC1CCN(C)C2(C1)CN(c1cc(C)nc3ncnn13)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N6O.C2HF3O2/c1-4-24-9-14-5-6-21(3)17(8-14)10-22(11-17)15-7-13(2)20-16-18-12-19-23(15)16;3-2(4,5)1(6)7/h7,12,14H,4-6,8-11H2,1-3H3;(H,6,7)
InChIKeyRQNCIZLCLALMJG-UHFFFAOYSA-N
XLogP2.00
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid 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 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid (CID 171694584) is 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid is CCOCC1CCN(C)C2(C1)CN(c1cc(C)nc3ncnn13)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is RQNCIZLCLALMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O.C2HF3O2/c1-4-24-9-14-5-6-21(3)17(8-14)10-22(11-17)15-7-13(2)20-16-18-12-19-23(15)16;3-2(4,5)1(6)7/h7,12,14H,4-6,8-11H2,1-3H3;(H,6,7).
What are the key properties of 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 444.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171694584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).