5-chloro-6H-[1,2,4]triazolo[5,1-b]purine

C6H3ClN6 — CID 136927068

IUPAC5-chloro-6H-[1,2,4]triazolo[5,1-b]purine
SMILESClc1nc2ncnn2c2nc[nH]c12
InChIInChI=1S/C6H3ClN6/c7-4-3-5(9-1-8-3)13-6(12-4)10-2-11-13/h1-2H,(H,8,9)
InChIKeyUTRBJCLVFSLYKQ-UHFFFAOYSA-N
MW194.59 g/mol
LogP0.65
Rot. Bonds

About 5-chloro-6H-[1,2,4]triazolo[5,1-b]purine

5-chloro-6H-[1,2,4]triazolo[5,1-b]purine (PubChem CID 136927068) has the molecular formula C6H3ClN6 and a molecular weight of 194.59 g/mol. Its IUPAC name is 5-chloro-6H-[1,2,4]triazolo[5,1-b]purine.

Molecular Properties

Compound Name5-chloro-6H-[1,2,4]triazolo[5,1-b]purine
PubChem CID136927068
Molecular FormulaC6H3ClN6
Molecular Weight194.59 g/mol
Exact Mass194.01
IUPAC Name5-chloro-6H-[1,2,4]triazolo[5,1-b]purine
SMILESClc1nc2ncnn2c2nc[nH]c12
InChIInChI=1S/C6H3ClN6/c7-4-3-5(9-1-8-3)13-6(12-4)10-2-11-13/h1-2H,(H,8,9)
InChIKeyUTRBJCLVFSLYKQ-UHFFFAOYSA-N
XLogP0.65
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.59
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6H-[1,2,4]triazolo[5,1-b]purine?
The IUPAC name of 5-chloro-6H-[1,2,4]triazolo[5,1-b]purine (CID 136927068) is 5-chloro-6H-[1,2,4]triazolo[5,1-b]purine.
What is the SMILES notation for 5-chloro-6H-[1,2,4]triazolo[5,1-b]purine?
The canonical SMILES for 5-chloro-6H-[1,2,4]triazolo[5,1-b]purine is Clc1nc2ncnn2c2nc[nH]c12.
What is the InChIKey of 5-chloro-6H-[1,2,4]triazolo[5,1-b]purine?
The InChIKey is UTRBJCLVFSLYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN6/c7-4-3-5(9-1-8-3)13-6(12-4)10-2-11-13/h1-2H,(H,8,9).
What are the key properties of 5-chloro-6H-[1,2,4]triazolo[5,1-b]purine?
5-chloro-6H-[1,2,4]triazolo[5,1-b]purine has a molecular weight of 194.59 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6H-[1,2,4]triazolo[5,1-b]purine is sourced from PubChem (CID 136927068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).