3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid

C12H15N5O2 — CID 107325108

IUPAC3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc2nc(N3CCC(N)(C(=O)O)C3)nn2c1
InChIInChI=1S/C12H15N5O2/c1-8-2-3-9-14-11(15-17(9)6-8)16-5-4-12(13,7-16)10(18)19/h2-3,6H,4-5,7,13H2,1H3,(H,18,19)
InChIKeyPPLVVCNYRUZULH-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.03
Rot. Bonds2

About 3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325108) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325108
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc2nc(N3CCC(N)(C(=O)O)C3)nn2c1
InChIInChI=1S/C12H15N5O2/c1-8-2-3-9-14-11(15-17(9)6-8)16-5-4-12(13,7-16)10(18)19/h2-3,6H,4-5,7,13H2,1H3,(H,18,19)
InChIKeyPPLVVCNYRUZULH-UHFFFAOYSA-N
XLogP0.03
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid (CID 107325108) is 3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid is Cc1ccc2nc(N3CCC(N)(C(=O)O)C3)nn2c1.
What is the InChIKey of 3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is PPLVVCNYRUZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-2-3-9-14-11(15-17(9)6-8)16-5-4-12(13,7-16)10(18)19/h2-3,6H,4-5,7,13H2,1H3,(H,18,19).
What are the key properties of 3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).