2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H26N6O2 — CID 70768193

IUPAC2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(Cc1nc3ncccn3n1)CC2
InChIInChI=1S/C18H26N6O2/c1-26-12-11-23-14-18(4-3-16(23)25)5-9-22(10-6-18)13-15-20-17-19-7-2-8-24(17)21-15/h2,7-8H,3-6,9-14H2,1H3
InChIKeyKEOYMQLIBQAZEM-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.98
Rot. Bonds5

About 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70768193) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70768193
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(Cc1nc3ncccn3n1)CC2
InChIInChI=1S/C18H26N6O2/c1-26-12-11-23-14-18(4-3-16(23)25)5-9-22(10-6-18)13-15-20-17-19-7-2-8-24(17)21-15/h2,7-8H,3-6,9-14H2,1H3
InChIKeyKEOYMQLIBQAZEM-UHFFFAOYSA-N
XLogP0.98
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-([1,2,4]Triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 72925259
2-Isobutyl-8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72929929
cyclobutyl-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 97519144
Cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
CID 110874054
Piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
CID 134796532
(4-Methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797076
(4-Methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
CID 134797813
N-(2-methoxyethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134797885
Piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797898
N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134798454
(4-Ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134798658
Ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carbonyl)piperidine-4-carboxylate
CID 134800272

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70768193) is 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(Cc1nc3ncccn3n1)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KEOYMQLIBQAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-26-12-11-23-14-18(4-3-16(23)25)5-9-22(10-6-18)13-15-20-17-19-7-2-8-24(17)21-15/h2,7-8H,3-6,9-14H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.45 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70768193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).