7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C17H13Cl2N5OS — CID 135625708

About 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135625708) has the molecular formula C17H13Cl2N5OS and a molecular weight of 406.30 g/mol. Its IUPAC name is 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135625708
• Molecular Formula: C17H13Cl2N5OS
• Molecular Weight: 406.30 g/mol
• Exact Mass: 405.02
• IUPAC Name: 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(N)=O)C(c2cccc(Cl)c2Cl)n2nc(-c3cccs3)nc2N1
• InChI: InChI=1S/C17H13Cl2N5OS/c1-8-12(15(20)25)14(9-4-2-5-10(18)13(9)19)24-17(21-8)22-16(23-24)11-6-3-7-26-11/h2-7,14H,1H3,(H2,20,25)(H,21,22,23)
• InChIKey: CKLHGGUQZADBLA-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 85.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.30
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135625708) is 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2cccc(Cl)c2Cl)n2nc(-c3cccs3)nc2N1.

What is the InChIKey of 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is CKLHGGUQZADBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5OS/c1-8-12(15(20)25)14(9-4-2-5-10(18)13(9)19)24-17(21-8)22-16(23-24)11-6-3-7-26-11/h2-7,14H,1H3,(H2,20,25)(H,21,22,23).

What are the key properties of 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 406.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,3-dichlorophenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135625708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).