[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol

C12H17N5O — CID 95296940

IUPAC[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
SMILESCCc1cc(N2CCC[C@H]2CO)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-2-9-6-11(16-5-3-4-10(16)7-18)17-12(15-9)13-8-14-17/h6,8,10,18H,2-5,7H2,1H3/t10-/m0/s1
InChIKeyYHJWLVVOKZHDPU-JTQLQIEISA-N
MW247.30 g/mol
LogP0.65
Rot. Bonds3

About [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol

[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol (PubChem CID 95296940) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
PubChem CID95296940
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
SMILESCCc1cc(N2CCC[C@H]2CO)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-2-9-6-11(16-5-3-4-10(16)7-18)17-12(15-9)13-8-14-17/h6,8,10,18H,2-5,7H2,1H3/t10-/m0/s1
InChIKeyYHJWLVVOKZHDPU-JTQLQIEISA-N
XLogP0.65
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate
CID 97059143
[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 66995898
7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 98856258
2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
CID 78845347
7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95599921
7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47299227
7-[2-(3-chloropropyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 63389962
5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133377071
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49431473
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637083
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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol (CID 95296940) is [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol is CCc1cc(N2CCC[C@H]2CO)n2ncnc2n1.
What is the InChIKey of [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
The InChIKey is YHJWLVVOKZHDPU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-9-6-11(16-5-3-4-10(16)7-18)17-12(15-9)13-8-14-17/h6,8,10,18H,2-5,7H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95296940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).