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

C10H14N6O — CID 62068919

IUPAC5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNC1CCN(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)
InChIKeyBJNIDNMXPRTFJO-UHFFFAOYSA-N
MW234.26 g/mol
LogP-1.05
Rot. Bonds2

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

5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62068919) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62068919
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNC1CCN(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)
InChIKeyBJNIDNMXPRTFJO-UHFFFAOYSA-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

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

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Related Compounds

(7-Hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)(pyrrolidin-1-yl)methanone
CID 6501331
5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 94672044
5-(1,4-diazepan-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43162425
5-[(4-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43556653
5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43607145
5-[(2-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55104773
5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60805471
5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60807302
5-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61232992
5-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61233513
5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61297790
5-[[2-(aminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61823247

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62068919) is 5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is NC1CCN(Cc2cc(=O)n3[nH]cnc3n2)C1.
What is the InChIKey of 5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BJNIDNMXPRTFJO-UHFFFAOYSA-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).
What are the key properties of 5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(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-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62068919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).