(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid

C12H12N4O3 — CID 124661275

IUPAC(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc2nncn2c1
InChIInChI=1S/C12H12N4O3/c17-11(16-5-1-2-9(16)12(18)19)8-3-4-10-14-13-7-15(10)6-8/h3-4,6-7,9H,1-2,5H2,(H,18,19)/t9-/m1/s1
InChIKeyQVNYWKFNNFDYKV-SECBINFHSA-N
MW260.25 g/mol
LogP0.42
Rot. Bonds2

About (2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 124661275) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID124661275
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc2nncn2c1
InChIInChI=1S/C12H12N4O3/c17-11(16-5-1-2-9(16)12(18)19)8-3-4-10-14-13-7-15(10)6-8/h3-4,6-7,9H,1-2,5H2,(H,18,19)/t9-/m1/s1
InChIKeyQVNYWKFNNFDYKV-SECBINFHSA-N
XLogP0.42
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 154867298
(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carboxylic acid
CID 170549555
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137182026
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 43355554
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119371394
(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435

Frequently Asked Questions

What is the IUPAC name of (2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid (CID 124661275) is (2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1ccc2nncn2c1.
What is the InChIKey of (2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QVNYWKFNNFDYKV-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-11(16-5-1-2-9(16)12(18)19)8-3-4-10-14-13-7-15(10)6-8/h3-4,6-7,9H,1-2,5H2,(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 124661275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).