1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid

C14H21N5O2 — CID 79645412

About 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid (PubChem CID 79645412) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid
• PubChem CID: 79645412
• Molecular Formula: C14H21N5O2
• Molecular Weight: 291.35 g/mol
• Exact Mass: 291.17
• IUPAC Name: 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid
• SMILES: O=C(O)C1(NC2CC2)CCC(N2CCn3cnnc3C2)C1
• InChI: InChI=1S/C14H21N5O2/c20-13(21)14(16-10-1-2-10)4-3-11(7-14)18-5-6-19-9-15-17-12(19)8-18/h9-11,16H,1-8H2,(H,20,21)
• InChIKey: PUTNGABRGIWQLR-UHFFFAOYSA-N
• XLogP: 0.22
• TPSA: 83.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.35
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid?

The IUPAC name of 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid (CID 79645412) is 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid.

What is the SMILES notation for 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid?

The canonical SMILES for 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCC(N2CCn3cnnc3C2)C1.

What is the InChIKey of 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid?

The InChIKey is PUTNGABRGIWQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-13(21)14(16-10-1-2-10)4-3-11(7-14)18-5-6-19-9-15-17-12(19)8-18/h9-11,16H,1-8H2,(H,20,21).

What are the key properties of 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid?

1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79645412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).