(3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

C11H16N4O2 — CID 107219364

About (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

(3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (PubChem CID 107219364) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.

Molecular Properties

• Compound Name: (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
• PubChem CID: 107219364
• Molecular Formula: C11H16N4O2
• Molecular Weight: 236.27 g/mol
• Exact Mass: 236.13
• IUPAC Name: (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
• SMILES: CC1(O)CN(C(=O)C2Cc3nc[nH]c3CN2)C1
• InChI: InChI=1S/C11H16N4O2/c1-11(17)4-15(5-11)10(16)8-2-7-9(3-12-8)14-6-13-7/h6,8,12,17H,2-5H2,1H3,(H,13,14)
• InChIKey: CDDZFRGXBHHPGB-UHFFFAOYSA-N
• XLogP: -0.98
• TPSA: 81.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.27
LogP ≤ 5	-0.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?

The IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (CID 107219364) is (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.

What is the SMILES notation for (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?

The canonical SMILES for (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is CC1(O)CN(C(=O)C2Cc3nc[nH]c3CN2)C1.

What is the InChIKey of (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?

The InChIKey is CDDZFRGXBHHPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(17)4-15(5-11)10(16)8-2-7-9(3-12-8)14-6-13-7/h6,8,12,17H,2-5H2,1H3,(H,13,14).

What are the key properties of (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?

(3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is sourced from PubChem (CID 107219364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).