1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole

C8H11N7 — CID 66856514

IUPAC1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole
SMILESc1cn(C2CCNC2n2ccnn2)nn1
InChIInChI=1S/C8H11N7/c1-2-9-8(15-6-4-11-13-15)7(1)14-5-3-10-12-14/h3-9H,1-2H2
InChIKeyABDDTKGLDOFYCM-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.40
Rot. Bonds2

About 1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole

1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole (PubChem CID 66856514) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole
PubChem CID66856514
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole
SMILESc1cn(C2CCNC2n2ccnn2)nn1
InChIInChI=1S/C8H11N7/c1-2-9-8(15-6-4-11-13-15)7(1)14-5-3-10-12-14/h3-9H,1-2H2
InChIKeyABDDTKGLDOFYCM-UHFFFAOYSA-N
XLogP-0.40
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole?
The IUPAC name of 1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole (CID 66856514) is 1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole.
What is the SMILES notation for 1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole?
The canonical SMILES for 1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole is c1cn(C2CCNC2n2ccnn2)nn1.
What is the InChIKey of 1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole?
The InChIKey is ABDDTKGLDOFYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-2-9-8(15-6-4-11-13-15)7(1)14-5-3-10-12-14/h3-9H,1-2H2.
What are the key properties of 1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole?
1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole has a molecular weight of 205.22 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(triazol-1-yl)pyrrolidin-3-yl]triazole is sourced from PubChem (CID 66856514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).