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

C13H14N4O3 — CID 83101611

IUPAC(E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2nc(OC)n[nH]2)cc1
InChIInChI=1S/C13H14N4O3/c1-19-10-6-3-9(4-7-10)5-8-11(18)14-12-15-13(20-2)17-16-12/h3-8H,1-2H3,(H2,14,15,16,17,18)/b8-5+
InChIKeyUWBYUUFXLMLXHK-VMPITWQZSA-N
MW274.28 g/mol
LogP1.47
Rot. Bonds5

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

(E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide (PubChem CID 83101611) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
PubChem CID83101611
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2nc(OC)n[nH]2)cc1
InChIInChI=1S/C13H14N4O3/c1-19-10-6-3-9(4-7-10)5-8-11(18)14-12-15-13(20-2)17-16-12/h3-8H,1-2H3,(H2,14,15,16,17,18)/b8-5+
InChIKeyUWBYUUFXLMLXHK-VMPITWQZSA-N
XLogP1.47
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 83090120
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(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
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(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 115968541
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide (CID 83101611) is (E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2nc(OC)n[nH]2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide?
The InChIKey is UWBYUUFXLMLXHK-VMPITWQZSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-19-10-6-3-9(4-7-10)5-8-11(18)14-12-15-13(20-2)17-16-12/h3-8H,1-2H3,(H2,14,15,16,17,18)/b8-5+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide has a molecular weight of 274.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide is sourced from PubChem (CID 83101611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).