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

C18H23N5O4 — CID 42477295

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

8-(4-ethoxyphenyl)-N-[(2S)-1-hydroxybutan-2-yl]-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 42477295) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 8-(4-ethoxyphenyl)-N-[(2S)-1-hydroxybutan-2-yl]-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(4-ethoxyphenyl)-N-[(2S)-1-hydroxybutan-2-yl]-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
• PubChem CID: 42477295
• Molecular Formula: C18H23N5O4
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.18
• IUPAC Name: 8-(4-ethoxyphenyl)-N-[(2S)-1-hydroxybutan-2-yl]-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
• SMILES: CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@@H](CC)CO)c3=O)cc1
• InChI: InChI=1S/C18H23N5O4/c1-3-12(11-24)19-16(25)15-17(26)23-10-9-22(18(23)21-20-15)13-5-7-14(8-6-13)27-4-2/h5-8,12,24H,3-4,9-11H2,1-2H3,(H,19,25)/t12-/m0/s1
• InChIKey: RBOHUZVQWYDBET-LBPRGKRZSA-N
• XLogP: 0.69
• TPSA: 109.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-(4-ethoxyphenyl)-N-[(2S)-1-hydroxybutan-2-yl]-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (CID 42477295) is 8-(4-ethoxyphenyl)-N-[(2S)-1-hydroxybutan-2-yl]-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

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

The canonical SMILES for 8-(4-ethoxyphenyl)-N-[(2S)-1-hydroxybutan-2-yl]-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@@H](CC)CO)c3=O)cc1.

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

The InChIKey is RBOHUZVQWYDBET-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-3-12(11-24)19-16(25)15-17(26)23-10-9-22(18(23)21-20-15)13-5-7-14(8-6-13)27-4-2/h5-8,12,24H,3-4,9-11H2,1-2H3,(H,19,25)/t12-/m0/s1.

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

8-(4-ethoxyphenyl)-N-[(2S)-1-hydroxybutan-2-yl]-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-ethoxyphenyl)-N-[(2S)-1-hydroxybutan-2-yl]-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 42477295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).