1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone

C19H30N6O2 — CID 134796352

About 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone

1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 134796352) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone
• PubChem CID: 134796352
• Molecular Formula: C19H30N6O2
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.24
• IUPAC Name: 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone
• SMILES: CCN1CCN(C(=O)C2CCc3nnc(C4CCN(C(C)=O)CC4)n32)CC1
• InChI: InChI=1S/C19H30N6O2/c1-3-22-10-12-24(13-11-22)19(27)16-4-5-17-20-21-18(25(16)17)15-6-8-23(9-7-15)14(2)26/h15-16H,3-13H2,1-2H3
• InChIKey: FJBDJSHVDRIJKV-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 74.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone (CID 134796352) is 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone is CCN1CCN(C(=O)C2CCc3nnc(C4CCN(C(C)=O)CC4)n32)CC1.

What is the InChIKey of 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone?

The InChIKey is FJBDJSHVDRIJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-3-22-10-12-24(13-11-22)19(27)16-4-5-17-20-21-18(25(16)17)15-6-8-23(9-7-15)14(2)26/h15-16H,3-13H2,1-2H3.

What are the key properties of 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone?

1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 374.49 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134796352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).