(E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one

C9H7N3O2 — CID 141065290

IUPAC(E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1ncn[nH]1
InChIInChI=1S/C9H7N3O2/c13-8(9-10-6-11-12-9)4-3-7-2-1-5-14-7/h1-6H,(H,10,11,12)/b4-3+
InChIKeyCUYIXXWIOGQFRF-ONEGZZNKSA-N
MW189.17 g/mol
LogP1.29
Rot. Bonds3

About (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one (PubChem CID 141065290) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
PubChem CID141065290
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name(E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1ncn[nH]1
InChIInChI=1S/C9H7N3O2/c13-8(9-10-6-11-12-9)4-3-7-2-1-5-14-7/h1-6H,(H,10,11,12)/b4-3+
InChIKeyCUYIXXWIOGQFRF-ONEGZZNKSA-N
XLogP1.29
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one (CID 141065290) is (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)c1ncn[nH]1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one?
The InChIKey is CUYIXXWIOGQFRF-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-8(9-10-6-11-12-9)4-3-7-2-1-5-14-7/h1-6H,(H,10,11,12)/b4-3+.
What are the key properties of (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one has a molecular weight of 189.17 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 141065290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).