1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C16H18N8O — CID 126945927

About 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126945927) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
• PubChem CID: 126945927
• Molecular Formula: C16H18N8O
• Molecular Weight: 338.38 g/mol
• Exact Mass: 338.16
• IUPAC Name: 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
• SMILES: O=C1NCCN1c1cnn(C2CN(Cc3nnc4ccccn34)C2)c1
• InChI: InChI=1S/C16H18N8O/c25-16-17-4-6-22(16)12-7-18-24(10-12)13-8-21(9-13)11-15-20-19-14-3-1-2-5-23(14)15/h1-3,5,7,10,13H,4,6,8-9,11H2,(H,17,25)
• InChIKey: RCOLZLKTQDWTFS-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 83.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.38
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The IUPAC name of 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126945927) is 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

What is the SMILES notation for 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The canonical SMILES for 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is O=C1NCCN1c1cnn(C2CN(Cc3nnc4ccccn34)C2)c1.

What is the InChIKey of 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The InChIKey is RCOLZLKTQDWTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c25-16-17-4-6-22(16)12-7-18-24(10-12)13-8-21(9-13)11-15-20-19-14-3-1-2-5-23(14)15/h1-3,5,7,10,13H,4,6,8-9,11H2,(H,17,25).

What are the key properties of 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 338.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126945927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).