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

C10H11N5 — CID 79817368

IUPAC4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nnc3ccncn23)C1
InChIInChI=1S/C10H11N5/c11-8-2-1-7(5-8)10-14-13-9-3-4-12-6-15(9)10/h1-4,6-8H,5,11H2
InChIKeyBVOWVSLKYUEBEB-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.50
Rot. Bonds1

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

4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine (PubChem CID 79817368) 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-c]pyrimidin-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine
PubChem CID79817368
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nnc3ccncn23)C1
InChIInChI=1S/C10H11N5/c11-8-2-1-7(5-8)10-14-13-9-3-4-12-6-15(9)10/h1-4,6-8H,5,11H2
InChIKeyBVOWVSLKYUEBEB-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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Related Compounds

4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)cyclopent-2-en-1-amine
CID 79215915
3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79818138
4-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79210341
3-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 107070582
3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134334464
N-ethyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-3-amine
CID 79817365
4-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79211298
1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine
CID 79845154
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine
CID 114354286
1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine
CID 79816818
2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
CID 79818137
[1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine
CID 113310873

Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine (CID 79817368) is 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine is NC1C=CC(c2nnc3ccncn23)C1.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine?
The InChIKey is BVOWVSLKYUEBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-8-2-1-7(5-8)10-14-13-9-3-4-12-6-15(9)10/h1-4,6-8H,5,11H2.
What are the key properties of 4-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopent-2-en-1-amine?
4-([1,2,4]triazolo[4,3-c]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-c]pyrimidin-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79817368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).