5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide

C14H13N7O2 — CID 135767434

About 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide

5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide (PubChem CID 135767434) has the molecular formula C14H13N7O2 and a molecular weight of 311.31 g/mol. Its IUPAC name is 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide
• PubChem CID: 135767434
• Molecular Formula: C14H13N7O2
• Molecular Weight: 311.31 g/mol
• Exact Mass: 311.11
• IUPAC Name: 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide
• SMILES: CC1(C)C(=O)Nc2cc3nc(-c4n[nH]nc4C(N)=O)[nH]c3cc21
• InChI: InChI=1S/C14H13N7O2/c1-14(2)5-3-7-8(4-6(5)18-13(14)23)17-12(16-7)10-9(11(15)22)19-21-20-10/h3-4H,1-2H3,(H2,15,22)(H,16,17)(H,18,23)(H,19,20,21)
• InChIKey: QZYXTQBUHBAFTK-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 142.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.31
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide?

The IUPAC name of 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide (CID 135767434) is 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide.

What is the SMILES notation for 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide?

The canonical SMILES for 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide is CC1(C)C(=O)Nc2cc3nc(-c4n[nH]nc4C(N)=O)[nH]c3cc21.

What is the InChIKey of 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide?

The InChIKey is QZYXTQBUHBAFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2/c1-14(2)5-3-7-8(4-6(5)18-13(14)23)17-12(16-7)10-9(11(15)22)19-21-20-10/h3-4H,1-2H3,(H2,15,22)(H,16,17)(H,18,23)(H,19,20,21).

What are the key properties of 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide?

5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 0.68, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 135767434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).