4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid

C13H15N3O3 — CID 79215952

IUPAC4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(Nc2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C13H15N3O3/c17-12-11(14-5-6-16(12)10-3-4-10)15-9-2-1-8(7-9)13(18)19/h1-2,5-6,8-10H,3-4,7H2,(H,14,15)(H,18,19)
InChIKeyMRZPLCCMFQMKNZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.02
Rot. Bonds4

About 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79215952) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79215952
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(Nc2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C13H15N3O3/c17-12-11(14-5-6-16(12)10-3-4-10)15-9-2-1-8(7-9)13(18)19/h1-2,5-6,8-10H,3-4,7H2,(H,14,15)(H,18,19)
InChIKeyMRZPLCCMFQMKNZ-UHFFFAOYSA-N
XLogP1.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79215952) is 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(Nc2nccn(C3CC3)c2=O)C1.
What is the InChIKey of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is MRZPLCCMFQMKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12-11(14-5-6-16(12)10-3-4-10)15-9-2-1-8(7-9)13(18)19/h1-2,5-6,8-10H,3-4,7H2,(H,14,15)(H,18,19).
What are the key properties of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79215952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).