4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine

C11H13N5S — CID 114354286

IUPAC4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nn3c(C4CC4)nnc3s2)C1
InChIInChI=1S/C11H13N5S/c12-8-4-3-7(5-8)10-15-16-9(6-1-2-6)13-14-11(16)17-10/h3-4,6-8H,1-2,5,12H2
InChIKeyGXGFLVWPTAUKOU-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.43
Rot. Bonds2

About 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine

4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine (PubChem CID 114354286) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine
PubChem CID114354286
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nn3c(C4CC4)nnc3s2)C1
InChIInChI=1S/C11H13N5S/c12-8-4-3-7(5-8)10-15-16-9(6-1-2-6)13-14-11(16)17-10/h3-4,6-8H,1-2,5,12H2
InChIKeyGXGFLVWPTAUKOU-UHFFFAOYSA-N
XLogP1.43
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
CID 114355736
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
CID 114354491
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine
CID 114355508
3-cyclopropyl-6-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56870690
5-chloro-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991501
6-(chloromethyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355979
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine
CID 114354411
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-fluoroaniline
CID 114354376
2,4-dibromo-6-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114354445
3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
CID 114353284
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354437
[4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CID 82048308

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine (CID 114354286) is 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine is NC1C=CC(c2nn3c(C4CC4)nnc3s2)C1.
What is the InChIKey of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine?
The InChIKey is GXGFLVWPTAUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c12-8-4-3-7(5-8)10-15-16-9(6-1-2-6)13-14-11(16)17-10/h3-4,6-8H,1-2,5,12H2.
What are the key properties of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine?
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine has a molecular weight of 247.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 114354286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).