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

C10H13N5O — CID 66995898

IUPAC[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ccnc2ncnn12
InChIInChI=1S/C10H13N5O/c16-6-8-2-1-5-14(8)9-3-4-11-10-12-7-13-15(9)10/h3-4,7-8,16H,1-2,5-6H2
InChIKeyXRSHBBXRIOKTHM-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.09
Rot. Bonds2

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

[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol (PubChem CID 66995898) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
PubChem CID66995898
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ccnc2ncnn12
InChIInChI=1S/C10H13N5O/c16-6-8-2-1-5-14(8)9-3-4-11-10-12-7-13-15(9)10/h3-4,7-8,16H,1-2,5-6H2
InChIKeyXRSHBBXRIOKTHM-UHFFFAOYSA-N
XLogP0.09
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 95296940
[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate
CID 58514351
7-[(2R)-2-(pyridin-3-ylmethoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58514385
2-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid
CID 118952958
7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166271173
[(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126469583
4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
CID 126475579
[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126473236
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
2-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]ethanol
CID 78845346
3-[8-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-amine
CID 58514373
3-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
CID 126474263

Frequently Asked Questions

What is the IUPAC name of [1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol (CID 66995898) is [1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1ccnc2ncnn12.
What is the InChIKey of [1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
The InChIKey is XRSHBBXRIOKTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-6-8-2-1-5-14(8)9-3-4-11-10-12-7-13-15(9)10/h3-4,7-8,16H,1-2,5-6H2.
What are the key properties of [1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol?
[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol has a molecular weight of 219.25 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 66995898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).