N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C21H29N5O — CID 126766271

About N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 126766271) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
• PubChem CID: 126766271
• Molecular Formula: C21H29N5O
• Molecular Weight: 367.50 g/mol
• Exact Mass: 367.24
• IUPAC Name: N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
• SMILES: CC(C)CC1(CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)CCC1
• InChI: InChI=1S/C21H29N5O/c1-16(2)13-21(9-6-10-21)15-22-20(27)25-11-12-26-18(14-25)23-24-19(26)17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,22,27)
• InChIKey: LWDRWKOVDKFQRK-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.50
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?

The IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 126766271) is N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

What is the SMILES notation for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?

The canonical SMILES for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is CC(C)CC1(CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)CCC1.

What is the InChIKey of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?

The InChIKey is LWDRWKOVDKFQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16(2)13-21(9-6-10-21)15-22-20(27)25-11-12-26-18(14-25)23-24-19(26)17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,22,27).

What are the key properties of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?

N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 126766271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).