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

C11H16N6O — CID 62063569

IUPAC5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNCC1CCN(Cc2cc(=O)n3[nH]cnc3n2)C1
InChIInChI=1S/C11H16N6O/c12-4-8-1-2-16(5-8)6-9-3-10(18)17-11(15-9)13-7-14-17/h3,7-8H,1-2,4-6,12H2,(H,13,14,15)
InChIKeyIMZYSFVTPISLAG-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.80
Rot. Bonds3

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

5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62063569) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62063569
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNCC1CCN(Cc2cc(=O)n3[nH]cnc3n2)C1
InChIInChI=1S/C11H16N6O/c12-4-8-1-2-16(5-8)6-9-3-10(18)17-11(15-9)13-7-14-17/h3,7-8H,1-2,4-6,12H2,(H,13,14,15)
InChIKeyIMZYSFVTPISLAG-UHFFFAOYSA-N
XLogP-0.80
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61206264
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-[[4-(aminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61785557
5-[[3-(aminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61789265
5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62068919
5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62370836
5-[[2-aminoethyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62688101
5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63248993
5-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63264390
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63300481

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62063569) is 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is NCC1CCN(Cc2cc(=O)n3[nH]cnc3n2)C1.
What is the InChIKey of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IMZYSFVTPISLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-4-8-1-2-16(5-8)6-9-3-10(18)17-11(15-9)13-7-14-17/h3,7-8H,1-2,4-6,12H2,(H,13,14,15).
What are the key properties of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 248.29 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62063569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).