4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid

C13H21N3O4 — CID 71127312

IUPAC4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid
SMILESCOC(=O)CCCC(CCC(=O)O)c1nnn(C)c1C
InChIInChI=1S/C13H21N3O4/c1-9-13(14-15-16(9)2)10(7-8-11(17)18)5-4-6-12(19)20-3/h10H,4-8H2,1-3H3,(H,17,18)
InChIKeyMPZGUVFYUCVETM-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.42
Rot. Bonds8

About 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid

4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid (PubChem CID 71127312) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid.

Molecular Properties

Compound Name4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid
PubChem CID71127312
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid
SMILESCOC(=O)CCCC(CCC(=O)O)c1nnn(C)c1C
InChIInChI=1S/C13H21N3O4/c1-9-13(14-15-16(9)2)10(7-8-11(17)18)5-4-6-12(19)20-3/h10H,4-8H2,1-3H3,(H,17,18)
InChIKeyMPZGUVFYUCVETM-UHFFFAOYSA-N
XLogP1.42
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid?
The IUPAC name of 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid (CID 71127312) is 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid.
What is the SMILES notation for 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid?
The canonical SMILES for 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid is COC(=O)CCCC(CCC(=O)O)c1nnn(C)c1C.
What is the InChIKey of 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid?
The InChIKey is MPZGUVFYUCVETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9-13(14-15-16(9)2)10(7-8-11(17)18)5-4-6-12(19)20-3/h10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid?
4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethyltriazol-4-yl)-8-methoxy-8-oxooctanoic acid is sourced from PubChem (CID 71127312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).