N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

C21H27N5O3 — CID 171146210

About N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (PubChem CID 171146210) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
• PubChem CID: 171146210
• Molecular Formula: C21H27N5O3
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.21
• IUPAC Name: N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
• SMILES: Cc1ccccc1CN1CCn2c(nn(CC(=O)NC3CCCCC3)c2=O)C1=O
• InChI: InChI=1S/C21H27N5O3/c1-15-7-5-6-8-16(15)13-24-11-12-25-19(20(24)28)23-26(21(25)29)14-18(27)22-17-9-3-2-4-10-17/h5-8,17H,2-4,9-14H2,1H3,(H,22,27)
• InChIKey: FLUXOJZXECUWAO-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

The IUPAC name of N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (CID 171146210) is N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

What is the SMILES notation for N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

The canonical SMILES for N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is Cc1ccccc1CN1CCn2c(nn(CC(=O)NC3CCCCC3)c2=O)C1=O.

What is the InChIKey of N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

The InChIKey is FLUXOJZXECUWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-15-7-5-6-8-16(15)13-24-11-12-25-19(20(24)28)23-26(21(25)29)14-18(27)22-17-9-3-2-4-10-17/h5-8,17H,2-4,9-14H2,1H3,(H,22,27).

What are the key properties of N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?

N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 171146210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).