2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide

C17H15ClN4O4 — CID 46004177

IUPAC2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccco2)nn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H15ClN4O4/c1-2-21-16(24)14(15(23)19-10-13-4-3-9-26-13)20-22(17(21)25)12-7-5-11(18)6-8-12/h3-9H,2,10H2,1H3,(H,19,23)
InChIKeyCQZSPKZJVNDXLB-UHFFFAOYSA-N
MW374.78 g/mol
LogP1.59
Rot. Bonds5

About 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide

2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 46004177) has the molecular formula C17H15ClN4O4 and a molecular weight of 374.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID46004177
Molecular FormulaC17H15ClN4O4
Molecular Weight374.78 g/mol
Exact Mass374.08
IUPAC Name2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccco2)nn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H15ClN4O4/c1-2-21-16(24)14(15(23)19-10-13-4-3-9-26-13)20-22(17(21)25)12-7-5-11(18)6-8-12/h3-9H,2,10H2,1H3,(H,19,23)
InChIKeyCQZSPKZJVNDXLB-UHFFFAOYSA-N
XLogP1.59
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide 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 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 46004177) is 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide is CCn1c(=O)c(C(=O)NCc2ccco2)nn(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is CQZSPKZJVNDXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4/c1-2-21-16(24)14(15(23)19-10-13-4-3-9-26-13)20-22(17(21)25)12-7-5-11(18)6-8-12/h3-9H,2,10H2,1H3,(H,19,23).
What are the key properties of 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 374.78 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-ethyl-N-(furan-2-ylmethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 46004177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).