8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C13H21N3O3 — CID 114685110

IUPAC8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCCCn1nncc1C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H21N3O3/c1-2-7-16-11(10-14-15-16)12(17)3-5-13(6-4-12)18-8-9-19-13/h10,17H,2-9H2,1H3
InChIKeyQIWOZYCDISRUOU-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.19
Rot. Bonds3

About 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 114685110) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID114685110
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCCCn1nncc1C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H21N3O3/c1-2-7-16-11(10-14-15-16)12(17)3-5-13(6-4-12)18-8-9-19-13/h10,17H,2-9H2,1H3
InChIKeyQIWOZYCDISRUOU-UHFFFAOYSA-N
XLogP1.19
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol 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

1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 114684610
3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 103564590
1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 106820939
3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol
CID 114685047
2-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 130555176
5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole
CID 114688277
5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole
CID 114690670
4-fluoro-1-(3-propyltriazol-4-yl)-2,3-dihydroinden-1-ol
CID 114685403
2,2-dimethyl-3-(3-methyltriazol-4-yl)oxolan-3-ol
CID 130640510
(4-aminooxan-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114692305
(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688647

Frequently Asked Questions

What is the IUPAC name of 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 114685110) is 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol is CCCn1nncc1C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is QIWOZYCDISRUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-7-16-11(10-14-15-16)12(17)3-5-13(6-4-12)18-8-9-19-13/h10,17H,2-9H2,1H3.
What are the key properties of 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 267.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 114685110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).