1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid

C12H12N6O3 — CID 79311465

IUPAC1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(C(=O)Nc3cccnc3)C2)nn1
InChIInChI=1S/C12H12N6O3/c19-11(20)10-7-18(16-15-10)9-5-17(6-9)12(21)14-8-2-1-3-13-4-8/h1-4,7,9H,5-6H2,(H,14,21)(H,19,20)
InChIKeyKZLDLDNDKBZMLN-UHFFFAOYSA-N
MW288.27 g/mol
LogP0.46
Rot. Bonds3

About 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79311465) has the molecular formula C12H12N6O3 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79311465
Molecular FormulaC12H12N6O3
Molecular Weight288.27 g/mol
Exact Mass288.10
IUPAC Name1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(C(=O)Nc3cccnc3)C2)nn1
InChIInChI=1S/C12H12N6O3/c19-11(20)10-7-18(16-15-10)9-5-17(6-9)12(21)14-8-2-1-3-13-4-8/h1-4,7,9H,5-6H2,(H,14,21)(H,19,20)
InChIKeyKZLDLDNDKBZMLN-UHFFFAOYSA-N
XLogP0.46
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(phenylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312333
1-[1-(tert-butylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311077
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
1-[1-(pentan-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309678
1-[1-(3-methylpentan-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 106330658
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
1-[1-(2-methoxyethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312191
1-piperidin-4-yl-N-[4-(pyridin-3-ylcarbamoyl)phenyl]triazole-4-carboxamide
CID 119844777
1-piperidin-4-yl-N-[4-(pyridin-3-ylcarbamoyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119844776
1-(1-prop-2-ynoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309642

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79311465) is 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid is O=C(O)c1cn(C2CN(C(=O)Nc3cccnc3)C2)nn1.
What is the InChIKey of 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is KZLDLDNDKBZMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O3/c19-11(20)10-7-18(16-15-10)9-5-17(6-9)12(21)14-8-2-1-3-13-4-8/h1-4,7,9H,5-6H2,(H,14,21)(H,19,20).
What are the key properties of 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 288.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79311465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).