5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine

C9H12N6O — CID 62793036

IUPAC5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C3CCCC3)no2)n1
InChIInChI=1S/C9H12N6O/c10-9-12-7(13-14-9)8-11-6(15-16-8)5-3-1-2-4-5/h5H,1-4H2,(H3,10,12,13,14)
InChIKeyWQGMLHYJMSGGEN-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.09
Rot. Bonds2

About 5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine

5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62793036) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62793036
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C3CCCC3)no2)n1
InChIInChI=1S/C9H12N6O/c10-9-12-7(13-14-9)8-11-6(15-16-8)5-3-1-2-4-5/h5H,1-4H2,(H3,10,12,13,14)
InChIKeyWQGMLHYJMSGGEN-UHFFFAOYSA-N
XLogP1.09
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 62793036) is 5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nc(C3CCCC3)no2)n1.
What is the InChIKey of 5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is WQGMLHYJMSGGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c10-9-12-7(13-14-9)8-11-6(15-16-8)5-3-1-2-4-5/h5H,1-4H2,(H3,10,12,13,14).
What are the key properties of 5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 220.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62793036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).