1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one

C15H25N5O2 — CID 124941937

About 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one

1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 124941937) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
• PubChem CID: 124941937
• Molecular Formula: C15H25N5O2
• Molecular Weight: 307.40 g/mol
• Exact Mass: 307.20
• IUPAC Name: 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
• SMILES: CC(C)(C(=O)N1CC[C@@](O)(CN2CCCC2)C1)n1cncn1
• InChI: InChI=1S/C15H25N5O2/c1-14(2,20-12-16-11-17-20)13(21)19-8-5-15(22,10-19)9-18-6-3-4-7-18/h11-12,22H,3-10H2,1-2H3/t15-/m1/s1
• InChIKey: AQXYLSHIEYCNOO-OAHLLOKOSA-N
• XLogP: 0.07
• TPSA: 74.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.40
LogP ≤ 5	0.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?

The IUPAC name of 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one (CID 124941937) is 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one.

What is the SMILES notation for 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?

The canonical SMILES for 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is CC(C)(C(=O)N1CC[C@@](O)(CN2CCCC2)C1)n1cncn1.

What is the InChIKey of 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?

The InChIKey is AQXYLSHIEYCNOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-14(2,20-12-16-11-17-20)13(21)19-8-5-15(22,10-19)9-18-6-3-4-7-18/h11-12,22H,3-10H2,1-2H3/t15-/m1/s1.

What are the key properties of 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?

1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 307.40 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 124941937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).