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

C20H28N6O3 — CID 30607914

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

N-[2-(diethylamino)ethyl]-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 30607914) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
• PubChem CID: 30607914
• Molecular Formula: C20H28N6O3
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.22
• IUPAC Name: N-[2-(diethylamino)ethyl]-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
• SMILES: CCOc1ccc(N2CCn3c2nnc(C(=O)NCCN(CC)CC)c3=O)cc1
• InChI: InChI=1S/C20H28N6O3/c1-4-24(5-2)12-11-21-18(27)17-19(28)26-14-13-25(20(26)23-22-17)15-7-9-16(10-8-15)29-6-3/h7-10H,4-6,11-14H2,1-3H3,(H,21,27)
• InChIKey: VVOAQSFTDLQOSO-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)ethyl]-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (CID 30607914) is N-[2-(diethylamino)ethyl]-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

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

The canonical SMILES for N-[2-(diethylamino)ethyl]-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is CCOc1ccc(N2CCn3c2nnc(C(=O)NCCN(CC)CC)c3=O)cc1.

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

The InChIKey is VVOAQSFTDLQOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-4-24(5-2)12-11-21-18(27)17-19(28)26-14-13-25(20(26)23-22-17)15-7-9-16(10-8-15)29-6-3/h7-10H,4-6,11-14H2,1-3H3,(H,21,27).

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

N-[2-(diethylamino)ethyl]-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-8-(4-ethoxyphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 30607914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).