5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H13ClN6 — CID 102919266

IUPAC5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(CC)n(-c2cc(Cl)nc3ncnn23)n1
InChIInChI=1S/C12H13ClN6/c1-3-8-5-9(4-2)18(17-8)11-6-10(13)16-12-14-7-15-19(11)12/h5-7H,3-4H2,1-2H3
InChIKeyXEKFEZNYNXLYOM-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.09
Rot. Bonds3

About 5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102919266) has the molecular formula C12H13ClN6 and a molecular weight of 276.73 g/mol. Its IUPAC name is 5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102919266
Molecular FormulaC12H13ClN6
Molecular Weight276.73 g/mol
Exact Mass276.09
IUPAC Name5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(CC)n(-c2cc(Cl)nc3ncnn23)n1
InChIInChI=1S/C12H13ClN6/c1-3-8-5-9(4-2)18(17-8)11-6-10(13)16-12-14-7-15-19(11)12/h5-7H,3-4H2,1-2H3
InChIKeyXEKFEZNYNXLYOM-UHFFFAOYSA-N
XLogP2.09
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919252
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192366
5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133346565
5-chloro-7-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine
CID 102918480
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol
CID 102919198
5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918736
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
CID 102919264

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102919266) is 5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(CC)n(-c2cc(Cl)nc3ncnn23)n1.
What is the InChIKey of 5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XEKFEZNYNXLYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6/c1-3-8-5-9(4-2)18(17-8)11-6-10(13)16-12-14-7-15-19(11)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 276.73 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102919266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).