1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione

C14H14N6O4 — CID 168558910

IUPAC1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
SMILESCOc1ccc(-n2cnnn2)c(NC2=CC(=O)N(CCO)C2=O)c1
InChIInChI=1S/C14H14N6O4/c1-24-9-2-3-12(20-8-15-17-18-20)10(6-9)16-11-7-13(22)19(4-5-21)14(11)23/h2-3,6-8,16,21H,4-5H2,1H3
InChIKeyOKCVJSPCOXIOLJ-UHFFFAOYSA-N
MW330.30 g/mol
LogP-0.67
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione (PubChem CID 168558910) has the molecular formula C14H14N6O4 and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
PubChem CID168558910
Molecular FormulaC14H14N6O4
Molecular Weight330.30 g/mol
Exact Mass330.11
IUPAC Name1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
SMILESCOc1ccc(-n2cnnn2)c(NC2=CC(=O)N(CCO)C2=O)c1
InChIInChI=1S/C14H14N6O4/c1-24-9-2-3-12(20-8-15-17-18-20)10(6-9)16-11-7-13(22)19(4-5-21)14(11)23/h2-3,6-8,16,21H,4-5H2,1H3
InChIKeyOKCVJSPCOXIOLJ-UHFFFAOYSA-N
XLogP-0.67
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
CID 168560505
1-(2-hydroxyethyl)-3-[2-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
CID 168556830
3-[2-(dimethoxymethyl)-4-methoxyanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557664
1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
CID 168556374
1-(2-hydroxyethyl)-3-(2-methyl-5-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168557285
3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559093
1-(2-hydroxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 168560293
N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide
CID 46983508
[4-fluoro-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl] acetate
CID 168557775
methyl 1-(2-hydroxyethyl)-4-[5-methyl-2-(tetrazol-1-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168564302
methyl 4-bromo-3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
CID 168560511
methyl 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
CID 168555977

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione (CID 168558910) is 1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione is COc1ccc(-n2cnnn2)c(NC2=CC(=O)N(CCO)C2=O)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione?
The InChIKey is OKCVJSPCOXIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O4/c1-24-9-2-3-12(20-8-15-17-18-20)10(6-9)16-11-7-13(22)19(4-5-21)14(11)23/h2-3,6-8,16,21H,4-5H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione has a molecular weight of 330.30 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168558910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).