N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide

C15H21N7O2 — CID 110123937

About N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide

N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 110123937) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
• PubChem CID: 110123937
• Molecular Formula: C15H21N7O2
• Molecular Weight: 331.38 g/mol
• Exact Mass: 331.18
• IUPAC Name: N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
• SMILES: CC(C)(C(=O)NCC1(O)CCN(c2ncccn2)C1)n1cncn1
• InChI: InChI=1S/C15H21N7O2/c1-14(2,22-11-16-10-20-22)12(23)19-8-15(24)4-7-21(9-15)13-17-5-3-6-18-13/h3,5-6,10-11,24H,4,7-9H2,1-2H3,(H,19,23)
• InChIKey: YVBKCFXZQGJFAG-UHFFFAOYSA-N
• XLogP: -0.44
• TPSA: 109.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.38
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide?

The IUPAC name of N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide (CID 110123937) is N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide.

What is the SMILES notation for N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide?

The canonical SMILES for N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide is CC(C)(C(=O)NCC1(O)CCN(c2ncccn2)C1)n1cncn1.

What is the InChIKey of N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide?

The InChIKey is YVBKCFXZQGJFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-14(2,22-11-16-10-20-22)12(23)19-8-15(24)4-7-21(9-15)13-17-5-3-6-18-13/h3,5-6,10-11,24H,4,7-9H2,1-2H3,(H,19,23).

What are the key properties of N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide?

N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 331.38 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 110123937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).