3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide

C9H8N4O2 — CID 824100

IUPAC3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nn1cnnc1
InChIInChI=1S/C9H8N4O2/c14-9(12-13-6-10-11-7-13)4-3-8-2-1-5-15-8/h1-7H,(H,12,14)
InChIKeyMLWMVIHEPBAMTR-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.65
Rot. Bonds3

About 3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide

3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide (PubChem CID 824100) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
PubChem CID824100
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nn1cnnc1
InChIInChI=1S/C9H8N4O2/c14-9(12-13-6-10-11-7-13)4-3-8-2-1-5-15-8/h1-7H,(H,12,14)
InChIKeyMLWMVIHEPBAMTR-UHFFFAOYSA-N
XLogP0.65
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
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-(furan-2-yl)-N-piperidin-1-ylprop-2-enamide
CID 9271007
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
CID 6008904
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
(Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
CID 92902021
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-3-(furan-2-yl)-N-(methoxymethoxy)prop-2-enamide
CID 110495553
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide (CID 824100) is 3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide is O=C(C=Cc1ccco1)Nn1cnnc1.
What is the InChIKey of 3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
The InChIKey is MLWMVIHEPBAMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-9(12-13-6-10-11-7-13)4-3-8-2-1-5-15-8/h1-7H,(H,12,14).
What are the key properties of 3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide has a molecular weight of 204.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide is sourced from PubChem (CID 824100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).