(E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide

C17H14N4O2 — CID 57390397

IUPAC(E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O2/c22-14-9-6-12(7-10-14)8-11-15(23)18-17-19-16(20-21-17)13-4-2-1-3-5-13/h1-11,22H,(H2,18,19,20,21,23)/b11-8+
InChIKeyYHIWRVXVUOHULZ-DHZHZOJOSA-N
MW306.33 g/mol
LogP2.83
Rot. Bonds4

About (E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide

(E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide (PubChem CID 57390397) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
PubChem CID57390397
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name(E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O2/c22-14-9-6-12(7-10-14)8-11-15(23)18-17-19-16(20-21-17)13-4-2-1-3-5-13/h1-11,22H,(H2,18,19,20,21,23)/b11-8+
InChIKeyYHIWRVXVUOHULZ-DHZHZOJOSA-N
XLogP2.83
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide (CID 57390397) is (E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide is O=C(/C=C/c1ccc(O)cc1)Nc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The InChIKey is YHIWRVXVUOHULZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-14-9-6-12(7-10-14)8-11-15(23)18-17-19-16(20-21-17)13-4-2-1-3-5-13/h1-11,22H,(H2,18,19,20,21,23)/b11-8+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
(E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide has a molecular weight of 306.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide is sourced from PubChem (CID 57390397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).