(2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide

C12H8F2N5O2S- — CID 51374692

About (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide

(2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide (PubChem CID 51374692) has the molecular formula C12H8F2N5O2S- and a molecular weight of 324.29 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide.

Molecular Properties

• Compound Name: (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide
• PubChem CID: 51374692
• Molecular Formula: C12H8F2N5O2S-
• Molecular Weight: 324.29 g/mol
• Exact Mass: 324.04
• IUPAC Name: (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide
• SMILES: Cc1ccn2nc(S(=O)(=O)[N-]c3c(F)cccc3F)nc2n1
• InChI: InChI=1S/C12H8F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6H,1H3/q-1
• InChIKey: VLGBSZMRZVEDKJ-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 91.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.29
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide?

The IUPAC name of (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide (CID 51374692) is (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide.

What is the SMILES notation for (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide?

The canonical SMILES for (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide is Cc1ccn2nc(S(=O)(=O)[N-]c3c(F)cccc3F)nc2n1.

What is the InChIKey of (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide?

The InChIKey is VLGBSZMRZVEDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6H,1H3/q-1.

What are the key properties of (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide?

(2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide has a molecular weight of 324.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-difluorophenyl)-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonyl]azanide is sourced from PubChem (CID 51374692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).