N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

C17H19N9O2 — CID 121168598

About N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 121168598) has the molecular formula C17H19N9O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
• PubChem CID: 121168598
• Molecular Formula: C17H19N9O2
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.17
• IUPAC Name: N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
• SMILES: Cc1ccc(=O)n(CCNC(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)n1
• InChI: InChI=1S/C17H19N9O2/c1-12-2-3-16(27)25(23-12)5-4-19-17(28)13-7-24(8-13)14-6-15(21-10-20-14)26-11-18-9-22-26/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,19,28)
• InChIKey: ONHZPWVZLAERFG-UHFFFAOYSA-N
• XLogP: -0.82
• TPSA: 123.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.40
LogP ≤ 5	-0.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?

The IUPAC name of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (CID 121168598) is N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.

What is the SMILES notation for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?

The canonical SMILES for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is Cc1ccc(=O)n(CCNC(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)n1.

What is the InChIKey of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?

The InChIKey is ONHZPWVZLAERFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9O2/c1-12-2-3-16(27)25(23-12)5-4-19-17(28)13-7-24(8-13)14-6-15(21-10-20-14)26-11-18-9-22-26/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,19,28).

What are the key properties of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?

N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 381.40 g/mol, XLogP of -0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 121168598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).