N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C19H25N5OS — CID 78900144

About N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 78900144) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• PubChem CID: 78900144
• Molecular Formula: C19H25N5OS
• Molecular Weight: 371.51 g/mol
• Exact Mass: 371.18
• IUPAC Name: N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• SMILES: C=CCn1c(SCC(=O)N(CC(C)C)C2CC2)nnc1-c1ccncc1
• InChI: InChI=1S/C19H25N5OS/c1-4-11-23-18(15-7-9-20-10-8-15)21-22-19(23)26-13-17(25)24(12-14(2)3)16-5-6-16/h4,7-10,14,16H,1,5-6,11-13H2,2-3H3
• InChIKey: LJAJSSWMGMOXSB-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.51
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 78900144) is N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is C=CCn1c(SCC(=O)N(CC(C)C)C2CC2)nnc1-c1ccncc1.

What is the InChIKey of N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The InChIKey is LJAJSSWMGMOXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-4-11-23-18(15-7-9-20-10-8-15)21-22-19(23)26-13-17(25)24(12-14(2)3)16-5-6-16/h4,7-10,14,16H,1,5-6,11-13H2,2-3H3.

What are the key properties of N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-(2-methylpropyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 78900144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).