N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide

C17H17FN4O — CID 156609989

About N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide

N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide (PubChem CID 156609989) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide
• PubChem CID: 156609989
• Molecular Formula: C17H17FN4O
• Molecular Weight: 312.35 g/mol
• Exact Mass: 312.14
• IUPAC Name: N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide
• SMILES: Cc1ncc2c(n1)CC1CCC2N1C(=O)Nc1ccccc1F
• InChI: InChI=1S/C17H17FN4O/c1-10-19-9-12-15(20-10)8-11-6-7-16(12)22(11)17(23)21-14-5-3-2-4-13(14)18/h2-5,9,11,16H,6-8H2,1H3,(H,21,23)
• InChIKey: CWNTZMXARGDPRI-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.35
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide?

The IUPAC name of N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide (CID 156609989) is N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide.

What is the SMILES notation for N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide?

The canonical SMILES for N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide is Cc1ncc2c(n1)CC1CCC2N1C(=O)Nc1ccccc1F.

What is the InChIKey of N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide?

The InChIKey is CWNTZMXARGDPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-10-19-9-12-15(20-10)8-11-6-7-16(12)22(11)17(23)21-14-5-3-2-4-13(14)18/h2-5,9,11,16H,6-8H2,1H3,(H,21,23).

What are the key properties of N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide?

N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide is sourced from PubChem (CID 156609989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).