8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

C16H19N5O3 — CID 16861223

About 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 16861223) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
• PubChem CID: 16861223
• Molecular Formula: C16H19N5O3
• Molecular Weight: 329.36 g/mol
• Exact Mass: 329.15
• IUPAC Name: 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
• SMILES: CCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OCC)cc1
• InChI: InChI=1S/C16H19N5O3/c1-3-17-14(22)13-15(23)21-10-9-20(16(21)19-18-13)11-5-7-12(8-6-11)24-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,22)
• InChIKey: ZXLNMRXUAUWOJA-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.36
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?

The IUPAC name of 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (CID 16861223) is 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

What is the SMILES notation for 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?

The canonical SMILES for 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is CCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OCC)cc1.

What is the InChIKey of 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?

The InChIKey is ZXLNMRXUAUWOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-3-17-14(22)13-15(23)21-10-9-20(16(21)19-18-13)11-5-7-12(8-6-11)24-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,22).

What are the key properties of 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?

8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 16861223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).