5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H14N6O — CID 113282380

IUPAC5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESN[C@@H]1CCN(Cc2cc(=O)n3[nH]cnc3n2)C1
InChIInChI=1S/C10H14N6O/c11-7-1-2-15(4-7)5-8-3-9(17)16-10(14-8)12-6-13-16/h3,6-7H,1-2,4-5,11H2,(H,12,13,14)/t7-/m1/s1
InChIKeyBJNIDNMXPRTFJO-SSDOTTSWSA-N
MW234.26 g/mol
LogP-1.05
Rot. Bonds2

About 5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 113282380) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID113282380
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESN[C@@H]1CCN(Cc2cc(=O)n3[nH]cnc3n2)C1
InChIInChI=1S/C10H14N6O/c11-7-1-2-15(4-7)5-8-3-9(17)16-10(14-8)12-6-13-16/h3,6-7H,1-2,4-5,11H2,(H,12,13,14)/t7-/m1/s1
InChIKeyBJNIDNMXPRTFJO-SSDOTTSWSA-N
XLogP-1.05
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-amino-5-methylpiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 79993847
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 106672454
5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62022341
5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 31044109
(5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 98264452
5-[[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98289924
ethyl (3aS,4S,5S,7aR)-5-methyl-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3,3a,4,5,7a-hexahydroisoindole-4-carboxylate
CID 154821317
methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate
CID 115537833
5-[[(5S)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 126429740
5-[[(4aS,8aR)-4a-(hydroxymethyl)-6-propyl-3,4,5,7,8,8a-hexahydro-2H-1,6-naphthyridin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 56893566
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 42956025
5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115319265

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 113282380) is 5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is N[C@@H]1CCN(Cc2cc(=O)n3[nH]cnc3n2)C1.
What is the InChIKey of 5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BJNIDNMXPRTFJO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N6O/c11-7-1-2-15(4-7)5-8-3-9(17)16-10(14-8)12-6-13-16/h3,6-7H,1-2,4-5,11H2,(H,12,13,14)/t7-/m1/s1.
What are the key properties of 5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 234.26 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 113282380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).