1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid

C13H13N5O3 — CID 63031624

IUPAC1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(-n3cncn3)nc2)C1
InChIInChI=1S/C13H13N5O3/c19-12(17-4-3-10(6-17)13(20)21)9-1-2-11(15-5-9)18-8-14-7-16-18/h1-2,5,7-8,10H,3-4,6H2,(H,20,21)
InChIKeyHRDPEDNREULEEF-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.21
Rot. Bonds3

About 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid

1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031624) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID63031624
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(-n3cncn3)nc2)C1
InChIInChI=1S/C13H13N5O3/c19-12(17-4-3-10(6-17)13(20)21)9-1-2-11(15-5-9)18-8-14-7-16-18/h1-2,5,7-8,10H,3-4,6H2,(H,20,21)
InChIKeyHRDPEDNREULEEF-UHFFFAOYSA-N
XLogP0.21
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
3-methyl-1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529248
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175
1-(4-chlorobenzoyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 55561062
2-[4-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 120520631
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 125120657
(3R)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125134650
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 63031624) is 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(-n3cncn3)nc2)C1.
What is the InChIKey of 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HRDPEDNREULEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c19-12(17-4-3-10(6-17)13(20)21)9-1-2-11(15-5-9)18-8-14-7-16-18/h1-2,5,7-8,10H,3-4,6H2,(H,20,21).
What are the key properties of 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid?
1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).