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

C13H18ClN5 — CID 6501358

IUPAC6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC1CCCCN1c1c(Cl)c(C)nc2ncnn12
InChIInChI=1S/C13H18ClN5/c1-3-10-6-4-5-7-18(10)12-11(14)9(2)17-13-15-8-16-19(12)13/h8,10H,3-7H2,1-2H3
InChIKeyMEDDNGCLESZWEM-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.86
Rot. Bonds2

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

6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 6501358) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID6501358
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC1CCCCN1c1c(Cl)c(C)nc2ncnn12
InChIInChI=1S/C13H18ClN5/c1-3-10-6-4-5-7-18(10)12-11(14)9(2)17-13-15-8-16-19(12)13/h8,10H,3-7H2,1-2H3
InChIKeyMEDDNGCLESZWEM-UHFFFAOYSA-N
XLogP2.86
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6501354
3-butyl-4-ethyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671197
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid
CID 175654822
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine
CID 103076332
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
1-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-ethylazepane
CID 104691054
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133321302
[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 95296940
5-methyl-6-propan-2-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 167337186
[5-(2-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanol
CID 43266645

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 6501358) is 6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCC1CCCCN1c1c(Cl)c(C)nc2ncnn12.
What is the InChIKey of 6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MEDDNGCLESZWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-3-10-6-4-5-7-18(10)12-11(14)9(2)17-13-15-8-16-19(12)13/h8,10H,3-7H2,1-2H3.
What are the key properties of 6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 279.77 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2-ethylpiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 6501358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).