8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide

C14H20N4O — CID 145084151

About 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide

8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide (PubChem CID 145084151) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide.

Molecular Properties

• Compound Name: 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
• PubChem CID: 145084151
• Molecular Formula: C14H20N4O
• Molecular Weight: 260.34 g/mol
• Exact Mass: 260.16
• IUPAC Name: 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
• SMILES: CCCNC(=O)c1ccc2c(n1)N(C)C1CCN2C1
• InChI: InChI=1S/C14H20N4O/c1-3-7-15-14(19)11-4-5-12-13(16-11)17(2)10-6-8-18(12)9-10/h4-5,10H,3,6-9H2,1-2H3,(H,15,19)
• InChIKey: ZCMSGNYTXBYIRR-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.34
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?

The IUPAC name of 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide (CID 145084151) is 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide.

What is the SMILES notation for 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?

The canonical SMILES for 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide is CCCNC(=O)c1ccc2c(n1)N(C)C1CCN2C1.

What is the InChIKey of 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?

The InChIKey is ZCMSGNYTXBYIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-7-15-14(19)11-4-5-12-13(16-11)17(2)10-6-8-18(12)9-10/h4-5,10H,3,6-9H2,1-2H3,(H,15,19).

What are the key properties of 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide?

8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide is sourced from PubChem (CID 145084151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).