4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one

C18H17N3O4 — CID 71793579

IUPAC4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one
SMILESCOc1ccc(C(=O)Cn2nc(-c3ccco3)n(C3CC3)c2=O)cc1
InChIInChI=1S/C18H17N3O4/c1-24-14-8-4-12(5-9-14)15(22)11-20-18(23)21(13-6-7-13)17(19-20)16-3-2-10-25-16/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyOIOZYZYPMLGTGX-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.53
Rot. Bonds6

About 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one

4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one (PubChem CID 71793579) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one
PubChem CID71793579
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one
SMILESCOc1ccc(C(=O)Cn2nc(-c3ccco3)n(C3CC3)c2=O)cc1
InChIInChI=1S/C18H17N3O4/c1-24-14-8-4-12(5-9-14)15(22)11-20-18(23)21(13-6-7-13)17(19-20)16-3-2-10-25-16/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyOIOZYZYPMLGTGX-UHFFFAOYSA-N
XLogP2.53
TPSA79.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-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 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one (CID 71793579) is 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one is COc1ccc(C(=O)Cn2nc(-c3ccco3)n(C3CC3)c2=O)cc1.
What is the InChIKey of 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one?
The InChIKey is OIOZYZYPMLGTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-14-8-4-12(5-9-14)15(22)11-20-18(23)21(13-6-7-13)17(19-20)16-3-2-10-25-16/h2-5,8-10,13H,6-7,11H2,1H3.
What are the key properties of 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one?
4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one has a molecular weight of 339.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 71793579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).