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

C14H14N6O4 — CID 168560505

IUPAC1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
SMILESCOc1cc(NC2=CC(=O)N(CCO)C2=O)cc(-n2cnnn2)c1
InChIInChI=1S/C14H14N6O4/c1-24-11-5-9(4-10(6-11)20-8-15-17-18-20)16-12-7-13(22)19(2-3-21)14(12)23/h4-8,16,21H,2-3H2,1H3
InChIKeySEYQBYLOYPGXDL-UHFFFAOYSA-N
MW330.30 g/mol
LogP-0.67
Rot. Bonds6

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

1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione (PubChem CID 168560505) has the molecular formula C14H14N6O4 and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
PubChem CID168560505
Molecular FormulaC14H14N6O4
Molecular Weight330.30 g/mol
Exact Mass330.11
IUPAC Name1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
SMILESCOc1cc(NC2=CC(=O)N(CCO)C2=O)cc(-n2cnnn2)c1
InChIInChI=1S/C14H14N6O4/c1-24-11-5-9(4-10(6-11)20-8-15-17-18-20)16-12-7-13(22)19(2-3-21)14(12)23/h4-8,16,21H,2-3H2,1H3
InChIKeySEYQBYLOYPGXDL-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-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
CID 168558910
1-(2-hydroxyethyl)-3-[2-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
CID 168556830
1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
CID 168556374
1-(2-hydroxyethyl)-3-[4-(2-methyltetrazol-5-yl)anilino]pyrrole-2,5-dione
CID 168560200
methyl 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
CID 168555977
1-(2-hydroxyethyl)-3-[3-(1,3,4-thiadiazol-2-yloxy)anilino]pyrrole-2,5-dione
CID 168559149
1-(2-hydroxyethyl)-3-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 168559562
4-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 168557490
3-[5-fluoro-2-(4-methoxyphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559093
5-[[3-methoxy-5-(tetrazol-1-yl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537750
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131934682
3-[3-(3-fluoro-4-methoxyphenyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557935

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione (CID 168560505) is 1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione is COc1cc(NC2=CC(=O)N(CCO)C2=O)cc(-n2cnnn2)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione?
The InChIKey is SEYQBYLOYPGXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O4/c1-24-11-5-9(4-10(6-11)20-8-15-17-18-20)16-12-7-13(22)19(2-3-21)14(12)23/h4-8,16,21H,2-3H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[3-methoxy-5-(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-[3-methoxy-5-(tetrazol-1-yl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168560505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).