4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine

C10H11N5 — CID 79215915

IUPAC4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nnc3ncccn23)C1
InChIInChI=1S/C10H11N5/c11-8-3-2-7(6-8)9-13-14-10-12-4-1-5-15(9)10/h1-5,7-8H,6,11H2
InChIKeyJLXAEZWUSWZPBL-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.50
Rot. Bonds1

About 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine

4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine (PubChem CID 79215915) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine
PubChem CID79215915
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nnc3ncccn23)C1
InChIInChI=1S/C10H11N5/c11-8-3-2-7(6-8)9-13-14-10-12-4-1-5-15(9)10/h1-5,7-8H,6,11H2
InChIKeyJLXAEZWUSWZPBL-UHFFFAOYSA-N
XLogP0.50
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
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-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine (CID 79215915) is 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine is NC1C=CC(c2nnc3ncccn23)C1.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine?
The InChIKey is JLXAEZWUSWZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-8-3-2-7(6-8)9-13-14-10-12-4-1-5-15(9)10/h1-5,7-8H,6,11H2.
What are the key properties of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine?
4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine has a molecular weight of 201.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79215915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).