(E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide

C13H14N4O3 — CID 135903323

IUPAC(E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1cn(CCOc2ccccc2)nn1)NO
InChIInChI=1S/C13H14N4O3/c18-13(15-19)7-6-11-10-17(16-14-11)8-9-20-12-4-2-1-3-5-12/h1-7,10,19H,8-9H2,(H,15,18)/b7-6+
InChIKeyPVYOHNPXWCHRMX-VOTSOKGWSA-N
MW274.28 g/mol
LogP0.88
Rot. Bonds6

About (E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide (PubChem CID 135903323) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide
PubChem CID135903323
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name(E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1cn(CCOc2ccccc2)nn1)NO
InChIInChI=1S/C13H14N4O3/c18-13(15-19)7-6-11-10-17(16-14-11)8-9-20-12-4-2-1-3-5-12/h1-7,10,19H,8-9H2,(H,15,18)/b7-6+
InChIKeyPVYOHNPXWCHRMX-VOTSOKGWSA-N
XLogP0.88
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide (CID 135903323) is (E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide is O=C(/C=C/c1cn(CCOc2ccccc2)nn1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide?
The InChIKey is PVYOHNPXWCHRMX-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-13(15-19)7-6-11-10-17(16-14-11)8-9-20-12-4-2-1-3-5-12/h1-7,10,19H,8-9H2,(H,15,18)/b7-6+.
What are the key properties of (E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide has a molecular weight of 274.28 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide is sourced from PubChem (CID 135903323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).