1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid

C11H13N5O3 — CID 102549141

IUPAC1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(=O)n2[nH]c(N3CCC(C(=O)O)C3)nc2n1
InChIInChI=1S/C11H13N5O3/c1-6-4-8(17)16-10(12-6)13-11(14-16)15-3-2-7(5-15)9(18)19/h4,7H,2-3,5H2,1H3,(H,18,19)(H,12,13,14)
InChIKeyRXDMPFWYAHLNLG-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.36
Rot. Bonds2

About 1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid

1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 102549141) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID102549141
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(=O)n2[nH]c(N3CCC(C(=O)O)C3)nc2n1
InChIInChI=1S/C11H13N5O3/c1-6-4-8(17)16-10(12-6)13-11(14-16)15-3-2-7(5-15)9(18)19/h4,7H,2-3,5H2,1H3,(H,18,19)(H,12,13,14)
InChIKeyRXDMPFWYAHLNLG-UHFFFAOYSA-N
XLogP-0.36
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid (CID 102549141) is 1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid is Cc1cc(=O)n2[nH]c(N3CCC(C(=O)O)C3)nc2n1.
What is the InChIKey of 1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RXDMPFWYAHLNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-6-4-8(17)16-10(12-6)13-11(14-16)15-3-2-7(5-15)9(18)19/h4,7H,2-3,5H2,1H3,(H,18,19)(H,12,13,14).
What are the key properties of 1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102549141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).