N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

C18H20N6O2 — CID 30094301

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 30094301) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
• PubChem CID: 30094301
• Molecular Formula: C18H20N6O2
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.16
• IUPAC Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
• SMILES: CCn1c(=O)c(C)nc2cc(C(=O)NCc3nnc4n3CCC4)ccc21
• InChI: InChI=1S/C18H20N6O2/c1-3-23-14-7-6-12(9-13(14)20-11(2)18(23)26)17(25)19-10-16-22-21-15-5-4-8-24(15)16/h6-7,9H,3-5,8,10H2,1-2H3,(H,19,25)
• InChIKey: OWEGNPJLEQHIIN-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (CID 30094301) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.

What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)NCc3nnc4n3CCC4)ccc21.

What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

The InChIKey is OWEGNPJLEQHIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-3-23-14-7-6-12(9-13(14)20-11(2)18(23)26)17(25)19-10-16-22-21-15-5-4-8-24(15)16/h6-7,9H,3-5,8,10H2,1-2H3,(H,19,25).

What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 30094301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).