3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C17H17N5O4 — CID 167941117

IUPAC3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOCn1cnc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1
InChIInChI=1S/C17H17N5O4/c1-26-9-21-8-18-15(20-21)10-2-3-12-11(6-10)7-22(17(12)25)13-4-5-14(23)19-16(13)24/h2-3,6,8,13H,4-5,7,9H2,1H3,(H,19,23,24)
InChIKeyOILJQHLERVYOBD-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.31
Rot. Bonds4

About 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167941117) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167941117
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOCn1cnc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1
InChIInChI=1S/C17H17N5O4/c1-26-9-21-8-18-15(20-21)10-2-3-12-11(6-10)7-22(17(12)25)13-4-5-14(23)19-16(13)24/h2-3,6,8,13H,4-5,7,9H2,1H3,(H,19,23,24)
InChIKeyOILJQHLERVYOBD-UHFFFAOYSA-N
XLogP0.31
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 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

3-[6-(2-ethyl-1,2,4-triazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167762203
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[3-oxo-6-(2-propan-2-ylpyrazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166425756
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167854838
3-[6-[5-(1-adamantyl)-1-methyl-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577464
3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166427060
3-[6-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167935400
3-[6-[5-(2-chlorophenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075712
3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241243
methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate
CID 177241489
methyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylpyridine-3-carboxylate
CID 167906136

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167941117) is 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COCn1cnc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1.
What is the InChIKey of 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OILJQHLERVYOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-26-9-21-8-18-15(20-21)10-2-3-12-11(6-10)7-22(17(12)25)13-4-5-14(23)19-16(13)24/h2-3,6,8,13H,4-5,7,9H2,1H3,(H,19,23,24).
What are the key properties of 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 355.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167941117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).