6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide

C17H18N6O3 — CID 146065842

About 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide

6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 146065842) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide
• PubChem CID: 146065842
• Molecular Formula: C17H18N6O3
• Molecular Weight: 354.37 g/mol
• Exact Mass: 354.14
• IUPAC Name: 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide
• SMILES: COc1ccc2cc(C(=O)NCc3nnn4c3CNC(=O)C4C)[nH]c2c1
• InChI: InChI=1S/C17H18N6O3/c1-9-16(24)19-8-15-14(21-22-23(9)15)7-18-17(25)13-5-10-3-4-11(26-2)6-12(10)20-13/h3-6,9,20H,7-8H2,1-2H3,(H,18,25)(H,19,24)
• InChIKey: MWNNUTHFQQIJSZ-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 113.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.37
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide?

The IUPAC name of 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide (CID 146065842) is 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide?

The canonical SMILES for 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3nnn4c3CNC(=O)C4C)[nH]c2c1.

What is the InChIKey of 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide?

The InChIKey is MWNNUTHFQQIJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-9-16(24)19-8-15-14(21-22-23(9)15)7-18-17(25)13-5-10-3-4-11(26-2)6-12(10)20-13/h3-6,9,20H,7-8H2,1-2H3,(H,18,25)(H,19,24).

What are the key properties of 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide?

6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 146065842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).