8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid

C11H15N3O3 — CID 139017096

IUPAC8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid
SMILESO=C(O)C1(n2ccnn2)CCOC2(CCC2)C1
InChIInChI=1S/C11H15N3O3/c15-9(16)11(14-6-5-12-13-14)4-7-17-10(8-11)2-1-3-10/h5-6H,1-4,7-8H2,(H,15,16)
InChIKeyVOINIXINZCUEDV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.79
Rot. Bonds2

About 8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid

8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid (PubChem CID 139017096) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid.

Molecular Properties

Compound Name8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid
PubChem CID139017096
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid
SMILESO=C(O)C1(n2ccnn2)CCOC2(CCC2)C1
InChIInChI=1S/C11H15N3O3/c15-9(16)11(14-6-5-12-13-14)4-7-17-10(8-11)2-1-3-10/h5-6H,1-4,7-8H2,(H,15,16)
InChIKeyVOINIXINZCUEDV-UHFFFAOYSA-N
XLogP0.79
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yloxane-4-carboxylic acid
CID 82235125
3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone
CID 166259597
[4,4-bis(hydroxymethyl)-2-methylpyrrolidin-1-yl]-[1-(triazol-1-yl)cyclopropyl]methanone
CID 154855509
(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
CID 101092010
1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
1-(7-prop-2-enyl-1-oxaspiro[4.5]decan-7-yl)pyrazole
CID 152733169
3-(azetidin-1-yl)oxolane-3-carboxylic acid
CID 84765930
morpholine;triazole-1-carboxylic acid
CID 161053581
N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155963268
4-(2,7-dioxoazepan-1-yl)oxane-4-carboxylic acid
CID 78969588
2,2-dimethyl-4-(4-methylpiperazin-1-yl)oxane-4-carboxylic acid
CID 65422707
1-[4-(triazol-1-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117431069

Frequently Asked Questions

What is the IUPAC name of 8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid?
The IUPAC name of 8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid (CID 139017096) is 8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid.
What is the SMILES notation for 8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid?
The canonical SMILES for 8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid is O=C(O)C1(n2ccnn2)CCOC2(CCC2)C1.
What is the InChIKey of 8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid?
The InChIKey is VOINIXINZCUEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9(16)11(14-6-5-12-13-14)4-7-17-10(8-11)2-1-3-10/h5-6H,1-4,7-8H2,(H,15,16).
What are the key properties of 8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid?
8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid is sourced from PubChem (CID 139017096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).