5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H21N7O2 — CID 126934279

About 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 126934279) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 126934279
• Molecular Formula: C18H21N7O2
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.18
• IUPAC Name: 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(C)n2nc(C(=O)NC3CCC(n4ncccc4=O)CC3)nc2n1
• InChI: InChI=1S/C18H21N7O2/c1-11-10-12(2)24-18(20-11)22-16(23-24)17(27)21-13-5-7-14(8-6-13)25-15(26)4-3-9-19-25/h3-4,9-10,13-14H,5-8H2,1-2H3,(H,21,27)
• InChIKey: OYPGKILDRXEXFR-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 107.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 126934279) is 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NC3CCC(n4ncccc4=O)CC3)nc2n1.

What is the InChIKey of 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is OYPGKILDRXEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-11-10-12(2)24-18(20-11)22-16(23-24)17(27)21-13-5-7-14(8-6-13)25-15(26)4-3-9-19-25/h3-4,9-10,13-14H,5-8H2,1-2H3,(H,21,27).

What are the key properties of 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 126934279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).