N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide

C18H22N6O2S — CID 8918184

About N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide (PubChem CID 8918184) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
• PubChem CID: 8918184
• Molecular Formula: C18H22N6O2S
• Molecular Weight: 386.48 g/mol
• Exact Mass: 386.15
• IUPAC Name: N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
• SMILES: CN(CC(=O)NC1CC1)C(=O)CSc1nnc(-c2cccnc2)n1C1CC1
• InChI: InChI=1S/C18H22N6O2S/c1-23(10-15(25)20-13-4-5-13)16(26)11-27-18-22-21-17(24(18)14-6-7-14)12-3-2-8-19-9-12/h2-3,8-9,13-14H,4-7,10-11H2,1H3,(H,20,25)
• InChIKey: BBYIZZWVYBVHEG-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.48
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide (CID 8918184) is N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide.

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

The canonical SMILES for N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide is CN(CC(=O)NC1CC1)C(=O)CSc1nnc(-c2cccnc2)n1C1CC1.

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

The InChIKey is BBYIZZWVYBVHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-23(10-15(25)20-13-4-5-13)16(26)11-27-18-22-21-17(24(18)14-6-7-14)12-3-2-8-19-9-12/h2-3,8-9,13-14H,4-7,10-11H2,1H3,(H,20,25).

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

N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide has a molecular weight of 386.48 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide is sourced from PubChem (CID 8918184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).