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

C16H22N4O — CID 156610085

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

N-cyclopentyl-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide (PubChem CID 156610085) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide
• PubChem CID: 156610085
• Molecular Formula: C16H22N4O
• Molecular Weight: 286.38 g/mol
• Exact Mass: 286.18
• IUPAC Name: N-cyclopentyl-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide
• SMILES: Cc1ncc2c(n1)CC1CCC2N1C(=O)NC1CCCC1
• InChI: InChI=1S/C16H22N4O/c1-10-17-9-13-14(18-10)8-12-6-7-15(13)20(12)16(21)19-11-4-2-3-5-11/h9,11-12,15H,2-8H2,1H3,(H,19,21)
• InChIKey: DFUGLUKFSZGBER-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.38
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide (CID 156610085) is N-cyclopentyl-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-cyclopentyl-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide?

The canonical SMILES for N-cyclopentyl-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide is Cc1ncc2c(n1)CC1CCC2N1C(=O)NC1CCCC1.

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

The InChIKey is DFUGLUKFSZGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-17-9-13-14(18-10)8-12-6-7-15(13)20(12)16(21)19-11-4-2-3-5-11/h9,11-12,15H,2-8H2,1H3,(H,19,21).

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

N-cyclopentyl-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxamide is sourced from PubChem (CID 156610085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).