N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide

C15H10Cl2N4O2S — CID 7878429

About N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide

N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide (PubChem CID 7878429) has the molecular formula C15H10Cl2N4O2S and a molecular weight of 381.24 g/mol. Its IUPAC name is N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide
• PubChem CID: 7878429
• Molecular Formula: C15H10Cl2N4O2S
• Molecular Weight: 381.24 g/mol
• Exact Mass: 379.99
• IUPAC Name: N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide
• SMILES: O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC(=O)c1ccccc1
• InChI: InChI=1S/C15H10Cl2N4O2S/c16-10-6-11(17)13-19-20-15(21(13)7-10)24-8-12(22)18-14(23)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,22,23)
• InChIKey: BWONXDOTSDWGHZ-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 76.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.24
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide?

The IUPAC name of N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide (CID 7878429) is N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide.

What is the SMILES notation for N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide?

The canonical SMILES for N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide is O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC(=O)c1ccccc1.

What is the InChIKey of N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide?

The InChIKey is BWONXDOTSDWGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2S/c16-10-6-11(17)13-19-20-15(21(13)7-10)24-8-12(22)18-14(23)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,22,23).

What are the key properties of N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide?

N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide has a molecular weight of 381.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 7878429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).