5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C17H15N7O — CID 3545515

About 5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3545515) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 3545515
• Molecular Formula: C17H15N7O
• Molecular Weight: 333.36 g/mol
• Exact Mass: 333.13
• IUPAC Name: 5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccn2)C(c2ccccn2)n2ncnc2N1
• InChI: InChI=1S/C17H15N7O/c1-11-14(16(25)23-13-7-3-5-9-19-13)15(12-6-2-4-8-18-12)24-17(22-11)20-10-21-24/h2-10,15H,1H3,(H,19,23,25)(H,20,21,22)
• InChIKey: XBVPQQJELOODDI-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.36
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3545515) is 5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2ccccn2)n2ncnc2N1.

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

The InChIKey is XBVPQQJELOODDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-11-14(16(25)23-13-7-3-5-9-19-13)15(12-6-2-4-8-18-12)24-17(22-11)20-10-21-24/h2-10,15H,1H3,(H,19,23,25)(H,20,21,22).

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

5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N,7-dipyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3545515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).