5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C23H20N7O+ — CID 4165307

About 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4165307) has the molecular formula C23H20N7O+ and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 4165307
• Molecular Formula: C23H20N7O+
• Molecular Weight: 410.46 g/mol
• Exact Mass: 410.17
• IUPAC Name: 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2cccnc2)C(c2cccc[nH+]2)n2nc(-c3ccccc3)nc2N1
• InChI: InChI=1S/C23H19N7O/c1-15-19(22(31)27-17-10-7-12-24-14-17)20(18-11-5-6-13-25-18)30-23(26-15)28-21(29-30)16-8-3-2-4-9-16/h2-14,20H,1H3,(H,27,31)(H,26,28,29)/p+1
• InChIKey: FZMWDSCISMJCFK-UHFFFAOYSA-O
• XLogP: 3.08
• TPSA: 98.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.46
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 4165307) is 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccnc2)C(c2cccc[nH+]2)n2nc(-c3ccccc3)nc2N1.

What is the InChIKey of 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is FZMWDSCISMJCFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H19N7O/c1-15-19(22(31)27-17-10-7-12-24-14-17)20(18-11-5-6-13-25-18)30-23(26-15)28-21(29-30)16-8-3-2-4-9-16/h2-14,20H,1H3,(H,27,31)(H,26,28,29)/p+1.

What are the key properties of 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4165307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).