5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C10H9ClN8 — CID 102918902

IUPAC5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(N2CCn3cnnc3C2)n2ncnc2n1
InChIInChI=1S/C10H9ClN8/c11-7-3-9(19-10(15-7)12-5-14-19)17-1-2-18-6-13-16-8(18)4-17/h3,5-6H,1-2,4H2
InChIKeyXQTGNGWMCYGLFO-UHFFFAOYSA-N
MW276.69 g/mol
LogP0.39
Rot. Bonds1

About 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102918902) has the molecular formula C10H9ClN8 and a molecular weight of 276.69 g/mol. Its IUPAC name is 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102918902
Molecular FormulaC10H9ClN8
Molecular Weight276.69 g/mol
Exact Mass276.06
IUPAC Name5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(N2CCn3cnnc3C2)n2ncnc2n1
InChIInChI=1S/C10H9ClN8/c11-7-3-9(19-10(15-7)12-5-14-19)17-1-2-18-6-13-16-8(18)4-17/h3,5-6H,1-2,4H2
InChIKeyXQTGNGWMCYGLFO-UHFFFAOYSA-N
XLogP0.39
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918736
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 102918257
5-chloro-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918816
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919125
[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol
CID 102919086
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpyrrolidine-3-carboxamide
CID 114082399
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol
CID 102919198
6-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2H-pyrrolo[3,4-c]pyridin-1-ol
CID 123254240
5-chloro-7-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102918902) is 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1cc(N2CCn3cnnc3C2)n2ncnc2n1.
What is the InChIKey of 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XQTGNGWMCYGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN8/c11-7-3-9(19-10(15-7)12-5-14-19)17-1-2-18-6-13-16-8(18)4-17/h3,5-6H,1-2,4H2.
What are the key properties of 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 276.69 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102918902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).