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

C17H26N6O — CID 131642467

IUPAC7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOCC1CCN(C)C2(C1)CN(c1cc(C)nc3ncnn13)C2
InChIInChI=1S/C17H26N6O/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/h7,12,14H,4-6,8-11H2,1-3H3
InChIKeyYTWQHIADPWGLTB-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.37
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

7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 131642467) has the molecular formula C17H26N6O and a molecular weight of 330.44 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.

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
PubChem CID131642467
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOCC1CCN(C)C2(C1)CN(c1cc(C)nc3ncnn13)C2
InChIInChI=1S/C17H26N6O/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/h7,12,14H,4-6,8-11H2,1-3H3
InChIKeyYTWQHIADPWGLTB-UHFFFAOYSA-N
XLogP1.37
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine 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?
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 (CID 131642467) is 7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
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?
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 is CCOCC1CCN(C)C2(C1)CN(c1cc(C)nc3ncnn13)C2.
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?
The InChIKey is YTWQHIADPWGLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/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/h7,12,14H,4-6,8-11H2,1-3H3.
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?
7-[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 330.44 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 131642467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).