4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole

C15H25N3O3 — CID 79909027

IUPAC4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole
SMILESCCOC(OCC)c1cn(C2CCOC3(CCC3)C2)nn1
InChIInChI=1S/C15H25N3O3/c1-3-19-14(20-4-2)13-11-18(17-16-13)12-6-9-21-15(10-12)7-5-8-15/h11-12,14H,3-10H2,1-2H3
InChIKeyCGWWHDULRLKARP-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.62
Rot. Bonds6

About 4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole

4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole (PubChem CID 79909027) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole.

Molecular Properties

Compound Name4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole
PubChem CID79909027
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole
SMILESCCOC(OCC)c1cn(C2CCOC3(CCC3)C2)nn1
InChIInChI=1S/C15H25N3O3/c1-3-19-14(20-4-2)13-11-18(17-16-13)12-6-9-21-15(10-12)7-5-8-15/h11-12,14H,3-10H2,1-2H3
InChIKeyCGWWHDULRLKARP-UHFFFAOYSA-N
XLogP2.62
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[4-(diethoxymethyl)triazol-1-yl]piperidine
CID 150718724
N-[[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]methyl]ethanamine
CID 79909835
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]ethanamine
CID 79909032
4-(1-bromoethyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)triazole
CID 81449694
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine
CID 79909028
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
CID 79919786
1-(1-oxaspiro[5.5]undecan-4-yl)triazole-4-carboxylic acid
CID 79919425
2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
CID 114778703
1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]butan-2-amine
CID 79920068
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]ethyl]propan-1-amine
CID 79919225
4-(1-chloroethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrazole
CID 79919589
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole?
The IUPAC name of 4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole (CID 79909027) is 4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole.
What is the SMILES notation for 4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole?
The canonical SMILES for 4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole is CCOC(OCC)c1cn(C2CCOC3(CCC3)C2)nn1.
What is the InChIKey of 4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole?
The InChIKey is CGWWHDULRLKARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-19-14(20-4-2)13-11-18(17-16-13)12-6-9-21-15(10-12)7-5-8-15/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole?
4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole has a molecular weight of 295.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole is sourced from PubChem (CID 79909027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).