2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C15H21N5O — CID 81107620

IUPAC2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCc1cc(N2CCC3(O)CCCCC3C2)n2ncnc2n1
InChIInChI=1S/C15H21N5O/c1-11-8-13(20-14(18-11)16-10-17-20)19-7-6-15(21)5-3-2-4-12(15)9-19/h8,10,12,21H,2-7,9H2,1H3
InChIKeyQLWHWAKHBSSOLK-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.56
Rot. Bonds1

About 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81107620) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81107620
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCc1cc(N2CCC3(O)CCCCC3C2)n2ncnc2n1
InChIInChI=1S/C15H21N5O/c1-11-8-13(20-14(18-11)16-10-17-20)19-7-6-15(21)5-3-2-4-12(15)9-19/h8,10,12,21H,2-7,9H2,1H3
InChIKeyQLWHWAKHBSSOLK-UHFFFAOYSA-N
XLogP1.56
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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Related Compounds

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
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 81107513
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol
CID 115657951
7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122269226
(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 94173217
(3S)-N-cyclopentyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687580
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
(3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687450
N-cyclopropyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 166602280
5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354019

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81107620) is 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is Cc1cc(N2CCC3(O)CCCCC3C2)n2ncnc2n1.
What is the InChIKey of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is QLWHWAKHBSSOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-8-13(20-14(18-11)16-10-17-20)19-7-6-15(21)5-3-2-4-12(15)9-19/h8,10,12,21H,2-7,9H2,1H3.
What are the key properties of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 287.37 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81107620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).