N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H19N5OS — CID 125165962

About N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 125165962) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• PubChem CID: 125165962
• Molecular Formula: C15H19N5OS
• Molecular Weight: 317.42 g/mol
• Exact Mass: 317.13
• IUPAC Name: N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• SMILES: Cc1cccnc1[C@H](NC(=O)CSc1nncn1C)C1CC1
• InChI: InChI=1S/C15H19N5OS/c1-10-4-3-7-16-13(10)14(11-5-6-11)18-12(21)8-22-15-19-17-9-20(15)2/h3-4,7,9,11,14H,5-6,8H2,1-2H3,(H,18,21)/t14-/m1/s1
• InChIKey: LCBRVENDDFOTDR-CQSZACIVSA-N
• XLogP: 1.88
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.42
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The IUPAC name of N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 125165962) is N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1cccnc1[C@H](NC(=O)CSc1nncn1C)C1CC1.

What is the InChIKey of N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The InChIKey is LCBRVENDDFOTDR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-4-3-7-16-13(10)14(11-5-6-11)18-12(21)8-22-15-19-17-9-20(15)2/h3-4,7,9,11,14H,5-6,8H2,1-2H3,(H,18,21)/t14-/m1/s1.

What are the key properties of N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 317.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 125165962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).