N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide

C19H17N7O2 — CID 121116105

About N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide

N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide (PubChem CID 121116105) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide
• PubChem CID: 121116105
• Molecular Formula: C19H17N7O2
• Molecular Weight: 375.39 g/mol
• Exact Mass: 375.14
• IUPAC Name: N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide
• SMILES: Cn1c(-c2ccccn2)nn(CCNC(=O)c2ccc3nccnc3c2)c1=O
• InChI: InChI=1S/C19H17N7O2/c1-25-17(15-4-2-3-7-20-15)24-26(19(25)28)11-10-23-18(27)13-5-6-14-16(12-13)22-9-8-21-14/h2-9,12H,10-11H2,1H3,(H,23,27)
• InChIKey: WGDRHOXEVHEWIN-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 107.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.39
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide?

The IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide (CID 121116105) is N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide.

What is the SMILES notation for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide?

The canonical SMILES for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide is Cn1c(-c2ccccn2)nn(CCNC(=O)c2ccc3nccnc3c2)c1=O.

What is the InChIKey of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide?

The InChIKey is WGDRHOXEVHEWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-25-17(15-4-2-3-7-20-15)24-26(19(25)28)11-10-23-18(27)13-5-6-14-16(12-13)22-9-8-21-14/h2-9,12H,10-11H2,1H3,(H,23,27).

What are the key properties of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide?

N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 121116105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).