7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H25N5 — CID 98856258

IUPAC7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCCC[C@@H]2[C@H](C)CC)n2ncnc2n1
InChIInChI=1S/C16H25N5/c1-4-12(3)14-8-6-7-9-20(14)15-10-13(5-2)19-16-17-11-18-21(15)16/h10-12,14H,4-9H2,1-3H3/t12-,14-/m1/s1
InChIKeyOJORSGOANJYGAZ-TZMCWYRMSA-N
MW287.41 g/mol
LogP3.09
Rot. Bonds4

About 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 98856258) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID98856258
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCCC[C@@H]2[C@H](C)CC)n2ncnc2n1
InChIInChI=1S/C16H25N5/c1-4-12(3)14-8-6-7-9-20(14)15-10-13(5-2)19-16-17-11-18-21(15)16/h10-12,14H,4-9H2,1-3H3/t12-,14-/m1/s1
InChIKeyOJORSGOANJYGAZ-TZMCWYRMSA-N
XLogP3.09
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133377071
[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 95296940
methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate
CID 97059143
7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47299227
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
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
CID 78845347
5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5302733
1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49431473
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde
CID 62663961
7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95336447
5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46094621

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 98856258) is 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(N2CCCC[C@@H]2[C@H](C)CC)n2ncnc2n1.
What is the InChIKey of 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OJORSGOANJYGAZ-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-12(3)14-8-6-7-9-20(14)15-10-13(5-2)19-16-17-11-18-21(15)16/h10-12,14H,4-9H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 287.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 98856258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).