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

C10H9Cl2N5O2S — CID 47135677

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

N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide (PubChem CID 47135677) has the molecular formula C10H9Cl2N5O2S and a molecular weight of 334.19 g/mol. Its IUPAC name is N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
• PubChem CID: 47135677
• Molecular Formula: C10H9Cl2N5O2S
• Molecular Weight: 334.19 g/mol
• Exact Mass: 332.99
• IUPAC Name: N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
• SMILES: NC(=O)NC(=O)CCSc1nnc2c(Cl)cc(Cl)cn12
• InChI: InChI=1S/C10H9Cl2N5O2S/c11-5-3-6(12)8-15-16-10(17(8)4-5)20-2-1-7(18)14-9(13)19/h3-4H,1-2H2,(H3,13,14,18,19)
• InChIKey: CMSCIJXHZPJPBG-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 102.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.19
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide (CID 47135677) is N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide.

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

The canonical SMILES for N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide is NC(=O)NC(=O)CCSc1nnc2c(Cl)cc(Cl)cn12.

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

The InChIKey is CMSCIJXHZPJPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O2S/c11-5-3-6(12)8-15-16-10(17(8)4-5)20-2-1-7(18)14-9(13)19/h3-4H,1-2H2,(H3,13,14,18,19).

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

N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide has a molecular weight of 334.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 47135677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).