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

C19H25N5O — CID 95289306

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

N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (PubChem CID 95289306) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide.

Molecular Properties

• Compound Name: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
• PubChem CID: 95289306
• Molecular Formula: C19H25N5O
• Molecular Weight: 339.44 g/mol
• Exact Mass: 339.21
• IUPAC Name: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
• SMILES: Cc1ccc([C@H](NC(=O)CN2CCn3c(C)nnc3C2)C2CC2)cc1
• InChI: InChI=1S/C19H25N5O/c1-13-3-5-15(6-4-13)19(16-7-8-16)20-18(25)12-23-9-10-24-14(2)21-22-17(24)11-23/h3-6,16,19H,7-12H2,1-2H3,(H,20,25)/t19-/m0/s1
• InChIKey: IFASAZLYTHGMLD-IBGZPJMESA-N
• XLogP: 1.98
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.44
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (CID 95289306) is N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide.

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

The canonical SMILES for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is Cc1ccc([C@H](NC(=O)CN2CCn3c(C)nnc3C2)C2CC2)cc1.

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

The InChIKey is IFASAZLYTHGMLD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-3-5-15(6-4-13)19(16-7-8-16)20-18(25)12-23-9-10-24-14(2)21-22-17(24)11-23/h3-6,16,19H,7-12H2,1-2H3,(H,20,25)/t19-/m0/s1.

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

N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is sourced from PubChem (CID 95289306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).