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

C10H14N6O — CID 102549139

IUPAC2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(N3CCC(N)C3)nc2n1
InChIInChI=1S/C10H14N6O/c1-6-4-8(17)16-9(12-6)13-10(14-16)15-3-2-7(11)5-15/h4,7H,2-3,5,11H2,1H3,(H,12,13,14)
InChIKeyJIZTWSJNXIVHDD-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.74
Rot. Bonds1

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

2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 102549139) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID102549139
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(N3CCC(N)C3)nc2n1
InChIInChI=1S/C10H14N6O/c1-6-4-8(17)16-9(12-6)13-10(14-16)15-3-2-7(11)5-15/h4,7H,2-3,5,11H2,1H3,(H,12,13,14)
InChIKeyJIZTWSJNXIVHDD-UHFFFAOYSA-N
XLogP-0.74
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 102549139) is 2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(N3CCC(N)C3)nc2n1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JIZTWSJNXIVHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-6-4-8(17)16-9(12-6)13-10(14-16)15-3-2-7(11)5-15/h4,7H,2-3,5,11H2,1H3,(H,12,13,14).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 234.26 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 102549139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).