3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid

C15H23N5O3 — CID 122018110

About 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid

3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid (PubChem CID 122018110) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid
• PubChem CID: 122018110
• Molecular Formula: C15H23N5O3
• Molecular Weight: 321.38 g/mol
• Exact Mass: 321.18
• IUPAC Name: 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid
• SMILES: CC1c2nnc(C3CCCC3)n2CCN1C(=O)NCCC(=O)O
• InChI: InChI=1S/C15H23N5O3/c1-10-13-17-18-14(11-4-2-3-5-11)20(13)9-8-19(10)15(23)16-7-6-12(21)22/h10-11H,2-9H2,1H3,(H,16,23)(H,21,22)
• InChIKey: KDNUZGJIFKASJW-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 100.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.38
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid?

The IUPAC name of 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid (CID 122018110) is 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid.

What is the SMILES notation for 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid?

The canonical SMILES for 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid is CC1c2nnc(C3CCCC3)n2CCN1C(=O)NCCC(=O)O.

What is the InChIKey of 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid?

The InChIKey is KDNUZGJIFKASJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-10-13-17-18-14(11-4-2-3-5-11)20(13)9-8-19(10)15(23)16-7-6-12(21)22/h10-11H,2-9H2,1H3,(H,16,23)(H,21,22).

What are the key properties of 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid?

3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid has a molecular weight of 321.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122018110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).