8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide

C19H28N8O3 — CID 67308236

About 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide

8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide (PubChem CID 67308236) has the molecular formula C19H28N8O3 and a molecular weight of 416.49 g/mol. Its IUPAC name is 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
• PubChem CID: 67308236
• Molecular Formula: C19H28N8O3
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.23
• IUPAC Name: 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide
• SMILES: CN1CCN(CCNC(=O)c2nnc3c(n2)c(=O)n(C)c(=O)n3C2CCCC2)CC1
• InChI: InChI=1S/C19H28N8O3/c1-24-9-11-26(12-10-24)8-7-20-17(28)15-21-14-16(23-22-15)27(13-5-3-4-6-13)19(30)25(2)18(14)29/h13H,3-12H2,1-2H3,(H,20,28)
• InChIKey: LPUKVUQTZLYGKH-UHFFFAOYSA-N
• XLogP: -1.02
• TPSA: 118.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	-1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?

The IUPAC name of 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide (CID 67308236) is 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide.

What is the SMILES notation for 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?

The canonical SMILES for 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide is CN1CCN(CCNC(=O)c2nnc3c(n2)c(=O)n(C)c(=O)n3C2CCCC2)CC1.

What is the InChIKey of 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?

The InChIKey is LPUKVUQTZLYGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O3/c1-24-9-11-26(12-10-24)8-7-20-17(28)15-21-14-16(23-22-15)27(13-5-3-4-6-13)19(30)25(2)18(14)29/h13H,3-12H2,1-2H3,(H,20,28).

What are the key properties of 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide?

8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of -1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 67308236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).