2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid

C8H11N3O3 — CID 126985099

IUPAC2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid
SMILESCn1cc(C2OCCC2C(=O)O)nn1
InChIInChI=1S/C8H11N3O3/c1-11-4-6(9-10-11)7-5(8(12)13)2-3-14-7/h4-5,7H,2-3H2,1H3,(H,12,13)
InChIKeyHHUOVONANCZUNR-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.02
Rot. Bonds2

About 2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid

2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid (PubChem CID 126985099) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid
PubChem CID126985099
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid
SMILESCn1cc(C2OCCC2C(=O)O)nn1
InChIInChI=1S/C8H11N3O3/c1-11-4-6(9-10-11)7-5(8(12)13)2-3-14-7/h4-5,7H,2-3H2,1H3,(H,12,13)
InChIKeyHHUOVONANCZUNR-UHFFFAOYSA-N
XLogP-0.02
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062983
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
2-(3-methylimidazol-4-yl)oxolane-3-carboxylic acid
CID 79367840
2-(1-methyltriazol-4-yl)oxan-4-ol
CID 130599146
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124680941
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
2-(4-cyclopropylphenyl)oxolane-3-carboxylic acid
CID 79978253
(2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone
CID 130905526
2-(3,5-difluorophenyl)oxolane-3-carboxylic acid
CID 106534410
2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 122235493

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid?
The IUPAC name of 2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid (CID 126985099) is 2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid is Cn1cc(C2OCCC2C(=O)O)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid?
The InChIKey is HHUOVONANCZUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11-4-6(9-10-11)7-5(8(12)13)2-3-14-7/h4-5,7H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid?
2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 126985099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).