(2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C15H23N7O — CID 95750293

About (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 95750293) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
• PubChem CID: 95750293
• Molecular Formula: C15H23N7O
• Molecular Weight: 317.40 g/mol
• Exact Mass: 317.20
• IUPAC Name: (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
• SMILES: Cc1nnc2n1CCN([C@@H](C)C(=O)Nc1ccnn1C(C)C)C2
• InChI: InChI=1S/C15H23N7O/c1-10(2)22-13(5-6-16-22)17-15(23)11(3)20-7-8-21-12(4)18-19-14(21)9-20/h5-6,10-11H,7-9H2,1-4H3,(H,17,23)/t11-/m0/s1
• InChIKey: WILCHRYVDPHHDQ-NSHDSACASA-N
• XLogP: 1.21
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.40
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

The IUPAC name of (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 95750293) is (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

What is the SMILES notation for (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

The canonical SMILES for (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is Cc1nnc2n1CCN([C@@H](C)C(=O)Nc1ccnn1C(C)C)C2.

What is the InChIKey of (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

The InChIKey is WILCHRYVDPHHDQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N7O/c1-10(2)22-13(5-6-16-22)17-15(23)11(3)20-7-8-21-12(4)18-19-14(21)9-20/h5-6,10-11H,7-9H2,1-4H3,(H,17,23)/t11-/m0/s1.

What are the key properties of (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

(2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 317.40 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 95750293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).