5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H16N6OS — CID 121165941

About 5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 121165941) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 121165941
• Molecular Formula: C18H16N6OS
• Molecular Weight: 364.43 g/mol
• Exact Mass: 364.11
• IUPAC Name: 5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(C)n2nc(C(=O)NCc3ccnc(-c4ccsc4)c3)nc2n1
• InChI: InChI=1S/C18H16N6OS/c1-11-7-12(2)24-18(21-11)22-16(23-24)17(25)20-9-13-3-5-19-15(8-13)14-4-6-26-10-14/h3-8,10H,9H2,1-2H3,(H,20,25)
• InChIKey: VYKUCUYZOBJXOG-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.43
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 121165941) is 5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCc3ccnc(-c4ccsc4)c3)nc2n1.

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

The InChIKey is VYKUCUYZOBJXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-11-7-12(2)24-18(21-11)22-16(23-24)17(25)20-9-13-3-5-19-15(8-13)14-4-6-26-10-14/h3-8,10H,9H2,1-2H3,(H,20,25).

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

5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 121165941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).