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

C16H23N5 — CID 133346565

IUPAC5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2C(C)CC3CCCCC32)n2ncnc2n1
InChIInChI=1S/C16H23N5/c1-3-13-9-15(21-16(19-13)17-10-18-21)20-11(2)8-12-6-4-5-7-14(12)20/h9-12,14H,3-8H2,1-2H3
InChIKeyQOHBOFDAZSPHPG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.84
Rot. Bonds2

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

5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133346565) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133346565
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2C(C)CC3CCCCC32)n2ncnc2n1
InChIInChI=1S/C16H23N5/c1-3-13-9-15(21-16(19-13)17-10-18-21)20-11(2)8-12-6-4-5-7-14(12)20/h9-12,14H,3-8H2,1-2H3
InChIKeyQOHBOFDAZSPHPG-UHFFFAOYSA-N
XLogP2.84
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47299227
7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 98856258
[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 95296940
5-ethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133365586
methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate
CID 97059143
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
5-chloro-7-(3,5-diethylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919266
5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50820542
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133422121
5-ethyl-7-[4-(2-iodophenoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133337359
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 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) is 5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(N2C(C)CC3CCCCC32)n2ncnc2n1.
What is the InChIKey of 5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QOHBOFDAZSPHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-13-9-15(21-16(19-13)17-10-18-21)20-11(2)8-12-6-4-5-7-14(12)20/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133346565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).