5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C14H20ClN5 — CID 103076979

IUPAC5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1N1CC(C)CC(C)C1C
InChIInChI=1S/C14H20ClN5/c1-8-5-9(2)11(4)19(6-8)13-10(3)12(15)18-14-16-7-17-20(13)14/h7-9,11H,5-6H2,1-4H3
InChIKeyZOHLJFGIIDIOFO-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.96
Rot. Bonds1

About 5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103076979) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103076979
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1N1CC(C)CC(C)C1C
InChIInChI=1S/C14H20ClN5/c1-8-5-9(2)11(4)19(6-8)13-10(3)12(15)18-14-16-7-17-20(13)14/h7-9,11H,5-6H2,1-4H3
InChIKeyZOHLJFGIIDIOFO-UHFFFAOYSA-N
XLogP2.96
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine
CID 103076332
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 103076139
5-chloro-7-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-thiazepane
CID 103076328
5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077017
1-[4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 103076133
5-chloro-6-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076644
7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520
4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine
CID 114594505
5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075853
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 103076746

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103076979) is 5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1N1CC(C)CC(C)C1C.
What is the InChIKey of 5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZOHLJFGIIDIOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-8-5-9(2)11(4)19(6-8)13-10(3)12(15)18-14-16-7-17-20(13)14/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 293.80 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103076979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).