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

C14H17ClN6O — CID 95283753

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

(2S)-N-(5-chloro-2-pyridinyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide (PubChem CID 95283753) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide.

Molecular Properties

• Compound Name: (2S)-N-(5-chloro-2-pyridinyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
• PubChem CID: 95283753
• Molecular Formula: C14H17ClN6O
• Molecular Weight: 320.78 g/mol
• Exact Mass: 320.12
• IUPAC Name: (2S)-N-(5-chloro-2-pyridinyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
• SMILES: Cc1nnc2n1CCN([C@@H](C)C(=O)Nc1ccc(Cl)cn1)C2
• InChI: InChI=1S/C14H17ClN6O/c1-9(14(22)17-12-4-3-11(15)7-16-12)20-5-6-21-10(2)18-19-13(21)8-20/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17,22)/t9-/m0/s1
• InChIKey: ANMPYZNGPQRELU-VIFPVBQESA-N
• XLogP: 1.48
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.78
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide (CID 95283753) is (2S)-N-(5-chloro-2-pyridinyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide.

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

The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide is Cc1nnc2n1CCN([C@@H](C)C(=O)Nc1ccc(Cl)cn1)C2.

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

The InChIKey is ANMPYZNGPQRELU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17ClN6O/c1-9(14(22)17-12-4-3-11(15)7-16-12)20-5-6-21-10(2)18-19-13(21)8-20/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17,22)/t9-/m0/s1.

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

(2S)-N-(5-chloro-2-pyridinyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide has a molecular weight of 320.78 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(5-chloro-2-pyridinyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide is sourced from PubChem (CID 95283753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).